3-(4,6,7-trimethyl-5-oxidanyl-1,3-benzoxathiol-2-yl)propanoic acid

Systemtic Name: 3-(4,6,7-trimethyl-5-oxidanyl-1,3-benzoxathiol-2-yl)propanoic acid Openeye Name: 3-(5-hydroxy-4,6,7-trimethyl-1,3-benzoxathiol-2-yl)propanoic acid CAS Name: 3-(5-hydroxy-4,6,7-trimethyl-1,3-benzoxathiol-2-yl)propanoic acid IUPAC Name: 3-(5-hydroxy-4,6,7-trimethyl-1,3-benzoxathiol-2-yl)propanoic acid Traditional Name: 3-(5-hydroxy-4,6,7-trimethyl-1,3-benzoxathiol-2-yl)propionic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=C1O)C)SC(O2)CCC(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C(=C1O)C)SC(O2)CCC(=O)O)C

InChI

InChI=1S/C13H16O4S/c1-6-7(2)12-13(8(3)11(6)16)18-10(17-12)5-4-9(14)15/h10,16H,4-5H2,1-3H3,(H,14,15)