4-[[2-methanoylsulfanyl-5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-1-yl]amino]benzoic acid

Systemtic Name: 4-[[2-methanoylsulfanyl-5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-1-yl]amino]benzoic acid Openeye Name: 4-[[2-formylsulfanyl-5,5-dimethyl-8-(p-tolyl)-6H-naphthalen-1-yl]amino]benzoic acid CAS Name: 4-[[2-(formylthio)-5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-1-yl]amino]benzoic acid IUPAC Name: 4-[[2-formylsulfanyl-5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-1-yl]amino]benzoic acid Traditional Name: 4-[[2-(formylthio)-5,5-dimethyl-8-(p-tolyl)-6H-naphthalen-1-yl]amino]benzoic acid Formula: C27H25NO3S MolecularWeight: 443.5573

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CCC(C3=C2C(=C(C=C3)SC=O)NC4=CC=C(C=C4)C(=O)O)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CCC(C3=C2C(=C(C=C3)SC=O)NC4=CC=C(C=C4)C(=O)O)(C)C

InChI

InChI=1S/C27H25NO3S/c1-17-4-6-18(7-5-17)21-14-15-27(2,3)22-12-13-23(32-16-29)25(24(21)22)28-20-10-8-19(9-11-20)26(30)31/h4-14,16,28H,15H2,1-3H3,(H,30,31)