3-(5,5-dimethyl-4-oxidanyl-cyclohexa-1,3-dien-1-yl)-2-sulfanyl-propanoate

Systemtic Name: 3-(5,5-dimethyl-4-oxidanyl-cyclohexa-1,3-dien-1-yl)-2-sulfanyl-propanoate Openeye Name: 3-(4-hydroxy-5,5-dimethyl-cyclohexa-1,3-dien-1-yl)-2-sulfanyl-propanoate CAS Name: 3-(4-hydroxy-5,5-dimethyl-1-cyclohexa-1,3-dienyl)-2-mercaptopropanoate IUPAC Name: 3-(4-hydroxy-5,5-dimethylcyclohexa-1,3-dien-1-yl)-2-sulfanylpropanoate Traditional Name: 3-(4-hydroxy-5,5-dimethyl-cyclohexa-1,3-dien-1-yl)-2-mercapto-propionate Formula: C11H15O3S- MolecularWeight: 227.3

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC=C1O)CC(C(=O)[O-])S)C

Isomeric SMILES

CC1(CC(=CC=C1O)CC(C(=O)[O-])S)C

InChI

InChI=1S/C11H16O3S/c1-11(2)6-7(3-4-9(11)12)5-8(15)10(13)14/h3-4,8,12,15H,5-6H2,1-2H3,(H,13,14)/p-1