(3E)-3-[[4-[(2E)-2-[8-(Benzoylamino)-1-Oxo-3,6-Disulfonaphthalen-2-Ylidene]Hydrazinyl]-2,5-Dimethoxyphenyl]Hydrazinylidene]-5-[(4-Methylsulfonylbenzoyl)Amino]-4-Oxonaphthalene-2,7-Disulfonic Acid
[CAS# 31675-93-1]

Identification

• Name: (3E)-3-[[4-[(2E)-2-[8-(Benzoylamino)-1-Oxo-3,6-Disulfonaphthalen-2-Ylidene]Hydrazinyl]-2,5-Dimethoxyphenyl]Hydrazinylidene]-5-[(4-Methylsulfonylbenzoyl)Amino]-4-Oxonaphthalene-2,7-Disulfonic Acid
• Synonyms: (3E)-3-[[4-[(N'e)-N'-[8-(Benzoylamino)-1-Oxo-3,6-Disulfo-2-Naphthylidene]Hydrazino]-2,5-Dimethoxy-Phenyl]Hydrazono]-5-[(4-Methylsulfonylbenzoyl)Amino]-4-Oxo-Naphthalene-2,7-Disulfonic Acid; (3E)-3-[[2,5-Dimethoxy-4-[(N'e)-N'-[1-Oxo-8-[(Oxo-Phenylmethyl)Amino]-3,6-Disulfo-2-Naphthylidene]Hydrazino]Phenyl]Hydrazono]-5-[[(4-Methylsulfonylphenyl)-Oxomethyl]Amino]-4-Oxonaphthalene-2,7-Disulfonic Acid; (3E)-3-[[4-[(N'e)-N'-[8-(Benzoylamino)-1-Keto-3,6-Disulfo-2-Naphthylidene]Hydrazino]-2,5-Dimethoxy-Phenyl]Hydrazono]-4-Keto-5-[(4-Mesylbenzoyl)Amino]Naphthalene-2,7-Disulfonic Acid
• Molecular Formula: C₄₃H₃₄N₆O₂₀S₅
• Molecular Weight: 1115.07
• CAS Registry Number: 31675-93-1
• EINECS: 250-757-8
• SMILES: C2=C([S](O)(=O)=O)C=C(NC(=O)C1=CC=C([S](=O)(=O)C)C=C1)C7=C2C=C([S](O)(=O)=O)/C(=N/NC6=C(OC)C=C(N\N=C5\C(=CC3=C(C(=CC(=C3)[S](O)(=O)=O)NC(=O)C4=CC=CC=C4)C5=O)[S](O)(=O)=O)C(=C6)OC)C7=O
• InChI: 1S/C43H34N6O20S5/c1-68-32-20-29(47-49-39-35(74(65,66)67)16-24-14-27(72(59,60)61)18-31(37(24)41(39)51)45-43(53)22-9-11-25(12-10-22)70(3,54)55)33(69-2)19-28(32)46-48-38-34(73(62,63)64)15-23-13-26(71(56,57)58)17-30(36(23)40(38)50)44-42(52)21-7-5-4-6-8-21/h4-20,46-47H,1-3H3,(H,44,52)(H,45,53)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)/b48-38-,49-39-
• InChIKey: FRQCXMQBGUUQNI-JZRDFXNKSA-N

Properties

• Density: 1.743g/cm³ (Cal.)