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

Systemtic Name: 4-[[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)naphthalen-2-yl]sulfanylcarbonylamino]benzoic acid Openeye Name: 4-[[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)-2-naphthyl]sulfanylcarbonylamino]benzoic acid CAS Name: 4-[[[[1-(5,5-dimethyl-1-cyclohexa-1,3-dienyl)-2-naphthalenyl]thio]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)naphthalen-2-yl]sulfanylcarbonylamino]benzoic acid Traditional Name: 4-[[[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)-2-naphthyl]thio]carbonylamino]benzoic 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)SC(=O)NC4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1(CC(=CC=C1)C2=C(C=CC3=CC=CC=C32)SC(=O)NC4=CC=C(C=C4)C(=O)O)C

InChI

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