(3E)-3-[[2,5-dimethoxy-4-[(2Z)-2-(2-oxidanylidene-7-sulfo-naphthalen-1-ylidene)hydrazinyl]phenyl]hydrazinylidene]-4-oxidanylidene-8-[(4-sulfophenyl)carbonylamino]naphthalene-2-sulfonic acid

Systemtic Name: (3E)-3-[[2,5-dimethoxy-4-[(2Z)-2-(2-oxidanylidene-7-sulfo-naphthalen-1-ylidene)hydrazinyl]phenyl]hydrazinylidene]-4-oxidanylidene-8-[(4-sulfophenyl)carbonylamino]naphthalene-2-sulfonic acid Openeye Name: (3E)-3-[[2,5-dimethoxy-4-[(2Z)-2-(2-oxo-7-sulfo-1-naphthylidene)hydrazino]phenyl]hydrazono]-4-oxo-8-[(4-sulfobenzoyl)amino]naphthalene-2-sulfonic acid CAS Name: (3E)-3-[[2,5-dimethoxy-4-[(2Z)-2-(2-oxo-7-sulfo-1-naphthalenylidene)hydrazinyl]phenyl]hydrazinylidene]-4-oxo-8-[[oxo-(4-sulfophenyl)methyl]amino]-2-naphthalenesulfonic acid IUPAC Name: (3E)-3-[[2,5-dimethoxy-4-[(2Z)-2-(2-oxo-7-sulfonaphthalen-1-ylidene)hydrazinyl]phenyl]hydrazinylidene]-4-oxo-8-[(4-sulfobenzoyl)amino]naphthalene-2-sulfonic acid Traditional Name: (3E)-4-keto-3-[[4-[(N'Z)-N'-(2-keto-7-sulfo-1-naphthylidene)hydrazino]-2,5-dimethoxy-phenyl]hydrazono]-8-[(4-sulfobenzoyl)amino]naphthalene-2-sulfonic acid Formula: C35H27N5O14S3 MolecularWeight: 837.80898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NN=C2C(=O)C=CC3=C2C=C(C=C3)S(=O)(=O)O)OC)NN=C4C(=CC5=C(C4=O)C=CC=C5NC(=O)C6=CC=C(C=C6)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1N/N=C/2\C(=O)C=CC3=C2C=C(C=C3)S(=O)(=O)O)OC)N/N=C\4/C(=CC5=C(C4=O)C=CC=C5NC(=O)C6=CC=C(C=C6)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C35H27N5O14S3/c1-53-29-17-27(30(54-2)16-26(29)37-39-32-23-14-21(56(47,48)49)12-6-18(23)9-13-28(32)41)38-40-33-31(57(50,51)52)15-24-22(34(33)42)4-3-5-25(24)36-35(43)19-7-10-20(11-8-19)55(44,45)46/h3-17,37-38H,1-2H3,(H,36,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)/b39-32-,40-33-