2-(7-methyl-6-sulfanyl-3,4-dihydro-2H-chromen-2-yl)ethanoic acid

Systemtic Name: 2-(7-methyl-6-sulfanyl-3,4-dihydro-2H-chromen-2-yl)ethanoic acid Openeye Name: 2-(7-methyl-6-sulfanyl-chroman-2-yl)acetic acid CAS Name: 2-(6-mercapto-7-methyl-3,4-dihydro-2H-1-benzopyran-2-yl)acetic acid IUPAC Name: 2-(7-methyl-6-sulfanyl-3,4-dihydro-2H-chromen-2-yl)acetic acid Traditional Name: 2-(6-mercapto-7-methyl-chroman-2-yl)acetic acid Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CCC(OC2=C1)CC(=O)O)S

Isomeric SMILES

CC1=C(C=C2CCC(OC2=C1)CC(=O)O)S

InChI

InChI=1S/C12H14O3S/c1-7-4-10-8(5-11(7)16)2-3-9(15-10)6-12(13)14/h4-5,9,16H,2-3,6H2,1H3,(H,13,14)