2-[2-(8,8-dimethyl-5-oxidanyl-6,7-dihydro-5H-naphthalen-2-yl)ethynyl]benzoate

Systemtic Name: 2-[2-(8,8-dimethyl-5-oxidanyl-6,7-dihydro-5H-naphthalen-2-yl)ethynyl]benzoate Openeye Name: 2-[2-(1-hydroxy-4,4-dimethyl-tetralin-6-yl)ethynyl]benzoate CAS Name: 2-[2-(5-hydroxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)ethynyl]benzoate IUPAC Name: 2-[2-(5-hydroxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)ethynyl]benzoate Traditional Name: 2-[2-(1-hydroxy-4,4-dimethyl-tetralin-6-yl)ethynyl]benzoate Formula: C21H19O3- MolecularWeight: 319.37376

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=C(C=C2)C#CC3=CC=CC=C3C(=O)[O-])O)C

Isomeric SMILES

CC1(CCC(C2=C1C=C(C=C2)C#CC3=CC=CC=C3C(=O)[O-])O)C

InChI

InChI=1S/C21H20O3/c1-21(2)12-11-19(22)17-10-8-14(13-18(17)21)7-9-15-5-3-4-6-16(15)20(23)24/h3-6,8,10,13,19,22H,11-12H2,1-2H3,(H,23,24)/p-1