carbazochrome sodium sulfonate hydrate (Q27294314)

Carbazochrome Sodium (English)

carbazochrome sodium sulfonate

14 October 2016

hydrated form of

0 references

chemical formula

C₁₀H₁₇N₄NaO₈S

1 reference

Carbazochrome Sodium (English)

14 October 2016

canonical SMILES

CN1C(CC2=CC(=NNC(=O)N)C(=O)C=C21)S(=O)(=O)[O-].O.O.O.[Na+]

1 reference

Carbazochrome Sodium (English)

14 October 2016

isomeric SMILES

CN1C(CC2=C/C(=N/NC(=O)N)/C(=O)C=C21)S(=O)(=O)[O-].O.O.O.[Na+]

1 reference

Carbazochrome Sodium (English)

InChI=1S/C10H12N4O5S.Na.3H2O/c1-14-7-4-8(15)6(12-13-10(11)16)2-5(7)3-9(14)20(17,18)19;;;;/h2,4,9H,3H2,1H3,(H3,11,13,16)(H,17,18,19);;3*1H2/q;+1;;;/p-1/b12-6-;;;;

14 October 2016

Identifiers

InChI

1 reference

Carbazochrome Sodium (English)

CQGHBSBJJFZEHQ-LWUOGSMXSA-M

14 October 2016

InChIKey

2 references

Carbazochrome Sodium (English)

14 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Carbazochrome Sodium (English)

reason for deprecated rank

14 October 2016

23089206

incorrect structure of molecular entity

1 reference

carbazochrome sodium sulfonate (English)

14 October 2016

1 reference

Carbazochrome Sodium (English)

matched by identifier from

14 October 2016

ChEBI ID

31350

mapping relation type

exact match

2 references

stated in

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C10H12N4O5S.Na.3H2O/c1-14-7-4-8(15)6(12-13-10(11)16)2-5(7)3-9(14)20(17,18)19;;;;/h2,4,9H,3H2,1H3,(H3,11,13,16)(H,17,18,19);;3*1H2/q;+1;;;/p-1/b12-6-;;;;

UNII

Y6G4426VGB

2 references

stated in

Global Substance Registration System

UNII

Y6G4426VGB

carbazochrome sodium sulfonate hydrate (English)