(3Z)-3-[(4-acetamidophenyl)hydrazinylidene]-5-azanyl-6-[[4-[[4-[[2,4-bis(azanyl)phenyl]diazenyl]phenyl]amino]-3-sulfo-phenyl]diazenyl]-4-oxidanylidene-naphthalene-2,7-disulfonic acid

Systemtic Name: (3Z)-3-[(4-acetamidophenyl)hydrazinylidene]-5-azanyl-6-[[4-[[4-[[2,4-bis(azanyl)phenyl]diazenyl]phenyl]amino]-3-sulfo-phenyl]diazenyl]-4-oxidanylidene-naphthalene-2,7-disulfonic acid Openeye Name: (3Z)-3-[(4-acetamidophenyl)hydrazono]-5-amino-6-[4-[4-(2,4-diaminophenyl)azoanilino]-3-sulfo-phenyl]azo-4-oxo-naphthalene-2,7-disulfonic acid CAS Name: (3Z)-3-[(4-acetamidophenyl)hydrazinylidene]-5-amino-6-[4-[4-(2,4-diaminophenyl)azoanilino]-3-sulfophenyl]azo-4-oxonaphthalene-2,7-disulfonic acid IUPAC Name: (3Z)-3-[(4-acetamidophenyl)hydrazinylidene]-5-amino-6-[[4-[4-[(2,4-diaminophenyl)diazenyl]anilino]-3-sulfophenyl]diazenyl]-4-oxonaphthalene-2,7-disulfonic acid Traditional Name: (3Z)-3-[(4-acetamidophenyl)hydrazono]-5-amino-6-[4-[4-(2,4-diaminophenyl)azoanilino]-3-sulfo-phenyl]azo-4-keto-naphthalene-2,7-disulfonic acid Formula: C36H31N11O11S3 MolecularWeight: 889.89344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC(=C(C=C4)NC5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N/N=C/2\C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC(=C(C=C4)NC5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C36H31N11O11S3/c1-18(48)40-21-3-7-24(8-4-21)43-47-35-31(61(56,57)58)15-19-14-30(60(53,54)55)34(33(39)32(19)36(35)49)46-44-25-11-13-28(29(17-25)59(50,51)52)41-22-5-9-23(10-6-22)42-45-27-12-2-20(37)16-26(27)38/h2-17,41,43H,37-39H2,1H3,(H,40,48)(H,50,51,52)(H,53,54,55)(H,56,57,58)/b45-42?,46-44?,47-35+