2-[3-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)phenyl]prop-2-enoic acid

Systemtic Name: 2-[3-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)phenyl]prop-2-enoic acid Openeye Name: 2-[3-(4,4,7-trimethylthiochroman-6-yl)phenyl]prop-2-enoic acid CAS Name: 2-[3-(4,4,7-trimethyl-2,3-dihydro-1-benzothiopyran-6-yl)phenyl]-2-propenoic acid IUPAC Name: 2-[3-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)phenyl]prop-2-enoic acid Traditional Name: 2-[3-(4,4,7-trimethylthiochroman-6-yl)phenyl]acrylic acid Formula: C21H22O2S MolecularWeight: 338.46318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C3=CC(=CC=C3)C(=C)C(=O)O)C(CCS2)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C3=CC(=CC=C3)C(=C)C(=O)O)C(CCS2)(C)C

InChI

InChI=1S/C21H22O2S/c1-13-10-19-18(21(3,4)8-9-24-19)12-17(13)16-7-5-6-15(11-16)14(2)20(22)23/h5-7,10-12H,2,8-9H2,1,3-4H3,(H,22,23)