2-[[(7E)-1-azanyl-7-[(5-azanyl-2-sulfo-phenyl)hydrazinylidene]-3-methyl-8-oxidanylidene-6-sulfo-naphthalen-2-yl]diazenyl]benzene-1,4-disulfonic acid

Systemtic Name: 2-[[(7E)-1-azanyl-7-[(5-azanyl-2-sulfo-phenyl)hydrazinylidene]-3-methyl-8-oxidanylidene-6-sulfo-naphthalen-2-yl]diazenyl]benzene-1,4-disulfonic acid Openeye Name: 2-[[(7E)-1-amino-7-[(5-amino-2-sulfo-phenyl)hydrazono]-3-methyl-8-oxo-6-sulfo-2-naphthyl]azo]benzene-1,4-disulfonic acid CAS Name: 2-[[(7E)-1-amino-7-[(5-amino-2-sulfophenyl)hydrazinylidene]-3-methyl-8-oxo-6-sulfo-2-naphthalenyl]azo]benzene-1,4-disulfonic acid IUPAC Name: 2-[[(7E)-1-amino-7-[(5-amino-2-sulfophenyl)hydrazinylidene]-3-methyl-8-oxo-6-sulfonaphthalen-2-yl]diazenyl]benzene-1,4-disulfonic acid Traditional Name: 2-[[(7E)-1-amino-7-[(5-amino-2-sulfo-phenyl)hydrazono]-8-keto-3-methyl-6-sulfo-2-naphthyl]azo]benzene-1,4-disulfonic acid Formula: C23H20N6O13S4 MolecularWeight: 716.6973

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1)C=C(C(=NNC3=C(C=CC(=C3)N)S(=O)(=O)O)C2=O)S(=O)(=O)O)N)N=NC4=C(C=CC(=C4)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=C2C(=C1)C=C(/C(=N/NC3=C(C=CC(=C3)N)S(=O)(=O)O)/C2=O)S(=O)(=O)O)N)N=NC4=C(C=CC(=C4)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C23H20N6O13S4/c1-10-6-11-7-18(46(40,41)42)22(29-26-14-8-12(24)2-4-16(14)44(34,35)36)23(30)19(11)20(25)21(10)28-27-15-9-13(43(31,32)33)3-5-17(15)45(37,38)39/h2-9,26H,24-25H2,1H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)/b28-27?,29-22-