4-[2-[(8S)-5,5-dimethyl-8-oxidanyl-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[(8S)-5,5-dimethyl-8-oxidanyl-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[(4S)-4-hydroxy-1,1-dimethyl-tetralin-6-yl]ethynyl]benzoic acid CAS Name: 4-[2-[(8S)-8-hydroxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[(8S)-8-hydroxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[(4S)-4-hydroxy-1,1-dimethyl-tetralin-6-yl]ethynyl]benzoic acid Formula: C21H20O3 MolecularWeight: 320.3817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(CC[C@@H](C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)O)C

InChI

InChI=1S/C21H20O3/c1-21(2)12-11-19(22)17-13-15(7-10-18(17)21)4-3-14-5-8-16(9-6-14)20(23)24/h5-10,13,19,22H,11-12H2,1-2H3,(H,23,24)/t19-/m0/s1