Calcichrome
[CAS# 3810-39-7]

Identification

• Name: Calcichrome
• Synonyms: Hexasodium (3Z)-3-[(8-Hydroxy-3,6-Disulfonato-1-Naphthyl)Hydrazono]-5-[(N'z)-N'-(8-Hydroxy-1-Oxo-3,6-Disulfonato-2-Naphthylidene)Hydrazino]-4-Oxo-Naphthalene-2,7-Disulfonate; Hexasodium (3Z)-3-[(8-Hydroxy-3,6-Disulfonato-1-Naphthyl)Hydrazono]-5-[(N'z)-N'-(8-Hydroxy-1-Oxo-3,6-Disulfonato-2-Naphthylidene)Hydrazino]-4-Oxonaphthalene-2,7-Disulfonate; Hexasodium (3Z)-3-[(8-Hydroxy-3,6-Disulfonato-1-Naphthyl)Hydrazono]-5-[(N'z)-N'-(8-Hydroxy-1-Keto-3,6-Disulfonato-2-Naphthylidene)Hydrazino]-4-Keto-Naphthalene-2,7-Disulfonate
• Molecular Formula: C₃₀H₁₄N₄Na₆O₂₂S₆
• Molecular Weight: 1112.75
• CAS Registry Number: 3810-39-7
• EINECS: 223-283-4
• SMILES: C3=C([S]([O-])(=O)=O)C=C(N\N=C1/C(=CC2=C(C1=O)C(=CC(=C2)[S]([O-])(=O)=O)O)[S]([O-])(=O)=O)C6=C3C=C([S]([O-])(=O)=O)\C(=N/NC4=C5C(=CC(=C4)[S]([O-])(=O)=O)C=C([S]([O-])(=O)=O)C=C5O)C6=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C30H20N4O22S6.6Na/c35-20-9-16(59(45,46)47)2-11-1-14(57(39,40)41)7-18(24(11)20)31-33-27-22(61(51,52)53)5-12-3-15(58(42,43)44)8-19(25(12)29(27)37)32-34-28-23(62(54,55)56)6-13-4-17(60(48,49)50)10-21(36)26(13)30(28)38;;;;;;/h1-10,31-32,35-36H,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;;;/q;6*+1/p-6/b33-27+,34-28+
• InChIKey: RZTLWYLHENJEJY-ZUZCPLCPSA-H