2-[[4-[(3-azanyl-2,4-dimethyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)amino]phenyl]amino]butane-1-sulfonic acid

Systemtic Name: 2-[[4-[(3-azanyl-2,4-dimethyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)amino]phenyl]amino]butane-1-sulfonic acid Openeye Name: 2-[4-[(3-amino-2,4-dimethyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)amino]anilino]butane-1-sulfonic acid CAS Name: 2-[4-[(3-amino-2,4-dimethyl-6-oxo-1-cyclohexa-2,4-dienylidene)amino]anilino]-1-butanesulfonic acid IUPAC Name: 2-[4-[(3-amino-2,4-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)amino]anilino]butane-1-sulfonic acid Traditional Name: 2-[4-[(3-amino-6-keto-2,4-dimethyl-cyclohexa-2,4-dien-1-ylidene)amino]anilino]butane-1-sulfonic acid Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CS(=O)(=O)O)NC1=CC=C(C=C1)N=C2C(=C(C(=CC2=O)C)N)C

Isomeric SMILES

CCC(CS(=O)(=O)O)NC1=CC=C(C=C1)N=C2C(=C(C(=CC2=O)C)N)C

InChI

InChI=1S/C18H23N3O4S/c1-4-13(10-26(23,24)25)20-14-5-7-15(8-6-14)21-18-12(3)17(19)11(2)9-16(18)22/h5-9,13,20H,4,10,19H2,1-3H3,(H,23,24,25)