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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)OC(=O)C3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)OC(=O)C3=CC=CC=C3C(=O)O)C

InChI

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