3-[(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)oxycarbonyl]benzoic acid

Systemtic Name: 3-[(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)oxycarbonyl]benzoic acid Openeye Name: 3-(4,4-dimethylthiochroman-6-yl)oxycarbonylbenzoic acid CAS Name: 3-[(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)oxy-oxomethyl]benzoic acid IUPAC Name: 3-[(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)oxycarbonyl]benzoic acid Traditional Name: 3-(4,4-dimethylthiochroman-6-yl)oxycarbonylbenzoic acid Formula: C19H18O4S MolecularWeight: 342.40882

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)OC(=O)C3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)OC(=O)C3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C19H18O4S/c1-19(2)8-9-24-16-7-6-14(11-15(16)19)23-18(22)13-5-3-4-12(10-13)17(20)21/h3-7,10-11H,8-9H2,1-2H3,(H,20,21)