4-[3-[8,8-dimethyl-5-(4-thiophen-2-ylphenyl)-7H-naphthalen-2-yl]prop-1-ynyl]-3-oxidanyl-benzoic acid

Systemtic Name: 4-[3-[8,8-dimethyl-5-(4-thiophen-2-ylphenyl)-7H-naphthalen-2-yl]prop-1-ynyl]-3-oxidanyl-benzoic acid Openeye Name: 4-[3-[8,8-dimethyl-5-[4-(2-thienyl)phenyl]-7H-naphthalen-2-yl]prop-1-ynyl]-3-hydroxy-benzoic acid CAS Name: 4-[3-[8,8-dimethyl-5-(4-thiophen-2-ylphenyl)-7H-naphthalen-2-yl]prop-1-ynyl]-3-hydroxybenzoic acid IUPAC Name: 4-[3-[8,8-dimethyl-5-(4-thiophen-2-ylphenyl)-7H-naphthalen-2-yl]prop-1-ynyl]-3-hydroxybenzoic acid Traditional Name: 4-[3-[8,8-dimethyl-5-[4-(2-thienyl)phenyl]-7H-naphthalen-2-yl]prop-1-ynyl]-3-hydroxy-benzoic acid Formula: C32H26O3S MolecularWeight: 490.61204

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=C(C=C2)CC#CC3=C(C=C(C=C3)C(=O)O)O)C4=CC=C(C=C4)C5=CC=CS5)C

Isomeric SMILES

CC1(CC=C(C2=C1C=C(C=C2)CC#CC3=C(C=C(C=C3)C(=O)O)O)C4=CC=C(C=C4)C5=CC=CS5)C

InChI

InChI=1S/C32H26O3S/c1-32(2)17-16-26(22-9-12-24(13-10-22)30-7-4-18-36-30)27-15-8-21(19-28(27)32)5-3-6-23-11-14-25(31(34)35)20-29(23)33/h4,7-16,18-20,33H,5,17H2,1-2H3,(H,34,35)