1,2-bis(2-methylphenyl)guanidine; (3E)-3-[[4-[[2-methoxy-4-[(3-sulfophenyl)diazenyl]phenyl]carbamoylamino]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: 1,2-bis(2-methylphenyl)guanidine; (3E)-3-[[4-[[2-methoxy-4-[(3-sulfophenyl)diazenyl]phenyl]carbamoylamino]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: 1,2-bis(o-tolyl)guanidine; (3E)-3-[[4-[[2-methoxy-4-(3-sulfophenyl)azo-phenyl]carbamoylamino]phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: 1,2-bis(2-methylphenyl)guanidine; (3E)-3-[[4-[[[2-methoxy-4-(3-sulfophenyl)azoanilino]-oxomethyl]amino]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: 1,2-bis(2-methylphenyl)guanidine; (3E)-3-[[4-[[2-methoxy-4-[(3-sulfophenyl)diazenyl]phenyl]carbamoylamino]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: 1,2-bis(o-tolyl)guanidine; (3E)-6-keto-3-[[4-[[2-methoxy-4-(3-sulfophenyl)azo-phenyl]carbamoylamino]phenyl]hydrazono]cyclohexa-1,4-diene-1-carboxylic acid Formula: C42H39N9O8S MolecularWeight: 829.87956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N.COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)O)NC(=O)NC3=CC=C(C=C3)NN=C4C=CC(=O)C(=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N.COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)O)NC(=O)NC3=CC=C(C=C3)N/N=C/4\C=CC(=O)C(=C4)C(=O)O

InChI

InChI=1S/C27H22N6O8S.C15H17N3/c1-41-25-15-20(33-31-18-3-2-4-21(13-18)42(38,39)40)9-11-23(25)29-27(37)28-16-5-7-17(8-6-16)30-32-19-10-12-24(34)22(14-19)26(35)36;1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h2-15,30H,1H3,(H,35,36)(H2,28,29,37)(H,38,39,40);3-10H,1-2H3,(H3,16,17,18)/b32-19+,33-31?;