4-[[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)naphthalen-2-yl]amino]sulfanylcarbonylbenzoic acid

Systemtic Name: 4-[[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)naphthalen-2-yl]amino]sulfanylcarbonylbenzoic acid Openeye Name: 4-[[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)-2-naphthyl]amino]sulfanylcarbonylbenzoic acid CAS Name: 4-[[[[1-(5,5-dimethyl-1-cyclohexa-1,3-dienyl)-2-naphthalenyl]amino]thio]-oxomethyl]benzoic acid IUPAC Name: 4-[[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)naphthalen-2-yl]amino]sulfanylcarbonylbenzoic acid Traditional Name: 4-[[[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)-2-naphthyl]amino]thio]carbonylbenzoic acid Formula: C26H23NO3S MolecularWeight: 429.53072

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC=C1)C2=C(C=CC3=CC=CC=C32)NSC(=O)C4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1(CC(=CC=C1)C2=C(C=CC3=CC=CC=C32)NSC(=O)C4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C26H23NO3S/c1-26(2)15-5-7-20(16-26)23-21-8-4-3-6-17(21)13-14-22(23)27-31-25(30)19-11-9-18(10-12-19)24(28)29/h3-15,27H,16H2,1-2H3,(H,28,29)