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

Systemtic Name: 4-(4,6,7-trimethyl-5-oxidanyl-1,3-benzoxathiol-2-yl)benzoic acid Openeye Name: 4-(5-hydroxy-4,6,7-trimethyl-1,3-benzoxathiol-2-yl)benzoic acid CAS Name: 4-(5-hydroxy-4,6,7-trimethyl-1,3-benzoxathiol-2-yl)benzoic acid IUPAC Name: 4-(5-hydroxy-4,6,7-trimethyl-1,3-benzoxathiol-2-yl)benzoic acid Traditional Name: 4-(5-hydroxy-4,6,7-trimethyl-1,3-benzoxathiol-2-yl)benzoic acid Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=C1O)C)SC(O2)C3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C(=C1O)C)SC(O2)C3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C17H16O4S/c1-8-9(2)14-15(10(3)13(8)18)22-17(21-14)12-6-4-11(5-7-12)16(19)20/h4-7,17-18H,1-3H3,(H,19,20)