2-(2,8-dimethyl-6-sulfanyl-3,4-dihydrochromen-2-yl)ethanoic acid

Systemtic Name: 2-(2,8-dimethyl-6-sulfanyl-3,4-dihydrochromen-2-yl)ethanoic acid Openeye Name: 2-(2,8-dimethyl-6-sulfanyl-chroman-2-yl)acetic acid CAS Name: 2-(6-mercapto-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl)acetic acid IUPAC Name: 2-(2,8-dimethyl-6-sulfanyl-3,4-dihydrochromen-2-yl)acetic acid Traditional Name: 2-(6-mercapto-2,8-dimethyl-chroman-2-yl)acetic acid Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)S)CCC(O2)(C)CC(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1)S)CCC(O2)(C)CC(=O)O

InChI

InChI=1S/C13H16O3S/c1-8-5-10(17)6-9-3-4-13(2,7-11(14)15)16-12(8)9/h5-6,17H,3-4,7H2,1-2H3,(H,14,15)