4-[(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)carbonyloxy]benzoic acid

Systemtic Name: 4-[(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)carbonyloxy]benzoic acid Openeye Name: 4-(4,4,7-trimethylthiochromane-6-carbonyl)oxybenzoic acid CAS Name: 4-[oxo-(4,4,7-trimethyl-2,3-dihydro-1-benzothiopyran-6-yl)methoxy]benzoic acid IUPAC Name: 4-(4,4,7-trimethyl-2,3-dihydrothiochromene-6-carbonyl)oxybenzoic acid Traditional Name: 4-(4,4,7-trimethylthiochroman-6-carbonyl)oxybenzoic acid Formula: C20H20O4S MolecularWeight: 356.4354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(=O)OC3=CC=C(C=C3)C(=O)O)C(CCS2)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C(=O)OC3=CC=C(C=C3)C(=O)O)C(CCS2)(C)C

InChI

InChI=1S/C20H20O4S/c1-12-10-17-16(20(2,3)8-9-25-17)11-15(12)19(23)24-14-6-4-13(5-7-14)18(21)22/h4-7,10-11H,8-9H2,1-3H3,(H,21,22)