tetrasulfocyanine acid (Q27137059)

2-(2-{(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2H-indol-2-ylidene]-4-methylhepta-1,3,5-trien-1-yl}-3,3-dimethyl-5-sulfo-3H-indolium-1-yl)ethanesulfonate (English)

retrieved

7 October 2016

chemical formula

C₃₂H₃₈N₂O₁₂S₄

1 reference

language of work or name

English

title

2-(2-{(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2H-indol-2-ylidene]-4-methylhepta-1,3,5-trien-1-yl}-3,3-dimethyl-5-sulfo-3H-indolium-1-yl)ethanesulfonate (English)

retrieved

7 October 2016

canonical SMILES

CC(=CC=CC1=[N+](C2=C(C1(C)C)C=C(C=C2)S(=O)(=O)O)CCS(=O)(=O)[O-])C=CC=C3C(C4=C(N3CCS(=O)(=O)O)C=CC(=C4)S(=O)(=O)O)(C)C

1 reference

language of work or name

English

title

2-(2-{(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2H-indol-2-ylidene]-4-methylhepta-1,3,5-trien-1-yl}-3,3-dimethyl-5-sulfo-3H-indolium-1-yl)ethanesulfonate (English)

retrieved

7 October 2016

isomeric SMILES

C/C(=C\C=C\C1=[N+](C2=C(C1(C)C)C=C(C=C2)S(=O)(=O)O)CCS(=O)(=O)[O-])/C=C/C=C/3\C(C4=C(N3CCS(=O)(=O)O)C=CC(=C4)S(=O)(=O)O)(C)C

1 reference

language of work or name

English

title

2-(2-{(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2H-indol-2-ylidene]-4-methylhepta-1,3,5-trien-1-yl}-3,3-dimethyl-5-sulfo-3H-indolium-1-yl)ethanesulfonate (English)

retrieved

7 October 2016

Identifiers

InChI

InChI=1S/C32H38N2O12S4/c1-22(8-6-10-29-31(2,3)25-20-23(49(41,42)43)12-14-27(25)33(29)16-18-47(35,36)37)9-7-11-30-32(4,5)26-21-24(50(44,45)46)13-15-28(26)34(30)17-19-48(38,39)40/h6-15,20-21H,16-19H2,1-5H3,(H3-,35,36,37,38,39,40,41,42,43,44,45,46)

1 reference

language of work or name

English

title

2-(2-{(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2H-indol-2-ylidene]-4-methylhepta-1,3,5-trien-1-yl}-3,3-dimethyl-5-sulfo-3H-indolium-1-yl)ethanesulfonate (English)

retrieved

7 October 2016

InChIKey

WKWHOLCUESSZIQ-UHFFFAOYSA-N

2 references

language of work or name

English

title

2-(2-{(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2H-indol-2-ylidene]-4-methylhepta-1,3,5-trien-1-yl}-3,3-dimethyl-5-sulfo-3H-indolium-1-yl)ethanesulfonate (English)

retrieved

7 October 2016

stated in

ChEBI release 2020-09-01

2 references

language of work or name

English

title

tetrasulfocyanine acid (English)

retrieved

7 October 2016

InChIKey

WKWHOLCUESSZIQ-UHFFFAOYSA-N

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=154082-13-0

1 reference

language of work or name

English

title

2-(2-{(1E,3E,5E,7E)-7-[3,3-Dimethyl-5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2H-indol-2-ylidene]-4-methyl-1,3,5-heptatrien-1-yl}-3,3-dimethyl-5-sulfo-3H-indolium-1-yl)ethanesulfonate (English)

retrieved

7 October 2016

PubChem CID

70678945

reason for deprecated rank

withdrawn identifier value

1 reference

language of work or name

English

title

2-(2-{(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2H-indol-2-ylidene]-4-methylhepta-1,3,5-trien-1-yl}-3,3-dimethyl-5-sulfo-3H-indolium-1-yl)ethanesulfonate (English)

retrieved

7 October 2016