4-[[3-methyl-4-[(4-methylsulfonylphenyl)diazenyl]phenyl]hydrazinylidene]cyclohexa-2,5-dien-1-one; oxocane

Systemtic Name: 4-[[3-methyl-4-[(4-methylsulfonylphenyl)diazenyl]phenyl]hydrazinylidene]cyclohexa-2,5-dien-1-one; oxocane Openeye Name: 4-[[3-methyl-4-(4-methylsulfonylphenyl)azo-phenyl]hydrazono]cyclohexa-2,5-dien-1-one; oxocane CAS Name: 4-[[3-methyl-4-(4-methylsulfonylphenyl)azophenyl]hydrazinylidene]-1-cyclohexa-2,5-dienone; oxocane IUPAC Name: 4-[[3-methyl-4-[(4-methylsulfonylphenyl)diazenyl]phenyl]hydrazinylidene]cyclohexa-2,5-dien-1-one; oxocane Traditional Name: 4-[[4-(4-mesylphenyl)azo-3-methyl-phenyl]hydrazono]cyclohexa-2,5-dien-1-one; oxocane Formula: C27H32N4O4S MolecularWeight: 508.63238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NN=C2C=CC(=O)C=C2)N=NC3=CC=C(C=C3)S(=O)(=O)C.C1CCCOCCC1

Isomeric SMILES

CC1=C(C=CC(=C1)NN=C2C=CC(=O)C=C2)N=NC3=CC=C(C=C3)S(=O)(=O)C.C1CCCOCCC1

InChI

InChI=1S/C20H18N4O3S.C7H14O/c1-14-13-17(23-21-15-3-8-18(25)9-4-15)7-12-20(14)24-22-16-5-10-19(11-6-16)28(2,26)27;1-2-4-6-8-7-5-3-1/h3-13,23H,1-2H3;1-7H2