(3E)-5-azanyl-3-[[4-[4-[(2Z)-2-(1-azanyl-8-oxidanylidene-3,6-disulfo-naphthalen-2-ylidene)hydrazinyl]-2-sulfo-phenyl]-3-sulfo-phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid

Systemtic Name: (3E)-5-azanyl-3-[[4-[4-[(2Z)-2-(1-azanyl-8-oxidanylidene-3,6-disulfo-naphthalen-2-ylidene)hydrazinyl]-2-sulfo-phenyl]-3-sulfo-phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid Openeye Name: (3E)-5-amino-3-[[4-[4-[(2Z)-2-(1-amino-8-oxo-3,6-disulfo-2-naphthylidene)hydrazino]-2-sulfo-phenyl]-3-sulfo-phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonic acid CAS Name: (3E)-5-amino-3-[[4-[4-[(2Z)-2-(1-amino-8-oxo-3,6-disulfo-2-naphthalenylidene)hydrazinyl]-2-sulfophenyl]-3-sulfophenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid IUPAC Name: (3E)-5-amino-3-[[4-[4-[(2Z)-2-(1-amino-8-oxo-3,6-disulfonaphthalen-2-ylidene)hydrazinyl]-2-sulfophenyl]-3-sulfophenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid Traditional Name: (3E)-5-amino-3-[[4-[4-[(N'Z)-N'-(1-amino-8-keto-3,6-disulfo-2-naphthylidene)hydrazino]-2-sulfo-phenyl]-3-sulfo-phenyl]hydrazono]-4-keto-naphthalene-2,7-disulfonic acid Formula: C32H24N6O20S6 MolecularWeight: 1004.95116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NN=C2C(=CC3=CC(=CC(=O)C3=C2N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C4=C(C=C(C=C4)NN=C5C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N/N=C/2\C(=CC3=CC(=CC(=O)C3=C2N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C4=C(C=C(C=C4)N/N=C\5/C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C32H24N6O20S6/c33-21-11-17(59(41,42)43)5-13-7-26(64(56,57)58)31(32(40)27(13)21)38-36-16-2-4-20(24(10-16)62(50,51)52)19-3-1-15(9-23(19)61(47,48)49)35-37-30-25(63(53,54)55)8-14-6-18(60(44,45)46)12-22(39)28(14)29(30)34/h1-12,35-36H,33-34H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)/b37-30+,38-31-