4-[2-[5,5-dimethyl-8-(phenylsulfonyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[5,5-dimethyl-8-(phenylsulfonyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[8-(benzenesulfonyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid CAS Name: 4-[2-[8-(benzenesulfonyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[8-(benzenesulfonyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid Traditional Name: 4-[2-(8-besyl-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoic acid Formula: C27H22O4S MolecularWeight: 442.52618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22O4S/c1-27(2)17-16-25(32(30,31)22-6-4-3-5-7-22)23-18-20(12-15-24(23)27)9-8-19-10-13-21(14-11-19)26(28)29/h3-7,10-16,18H,17H2,1-2H3,(H,28,29)