3-(4-methoxyphenyl)carbothioyl-1,2,2-trimethyl-cyclopentane-1-carboxylic acid

Systemtic Name: 3-(4-methoxyphenyl)carbothioyl-1,2,2-trimethyl-cyclopentane-1-carboxylic acid Openeye Name: 3-(4-methoxybenzenecarbothioyl)-1,2,2-trimethyl-cyclopentanecarboxylic acid CAS Name: 3-[(4-methoxyphenyl)-sulfanylidenemethyl]-1,2,2-trimethyl-1-cyclopentanecarboxylic acid IUPAC Name: 3-(4-methoxybenzenecarbothioyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid Traditional Name: 3-(4-methoxythiobenzoyl)-1,2,2-trimethyl-cyclopentanecarboxylic acid Formula: C17H22O3S MolecularWeight: 306.41978

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)O)C(=S)C2=CC=C(C=C2)OC)C

Isomeric SMILES

CC1(C(CCC1(C)C(=O)O)C(=S)C2=CC=C(C=C2)OC)C

InChI

InChI=1S/C17H22O3S/c1-16(2)13(9-10-17(16,3)15(18)19)14(21)11-5-7-12(20-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,18,19)