4-[(Z)-1-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)prop-1-en-2-yl]benzoic acid

Systemtic Name: 4-[(Z)-1-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)prop-1-en-2-yl]benzoic acid Openeye Name: 4-[(Z)-2-(4,4-dimethylthiochroman-6-yl)-1-methyl-vinyl]benzoic acid CAS Name: 4-[(Z)-1-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)prop-1-en-2-yl]benzoic acid IUPAC Name: 4-[(Z)-1-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)prop-1-en-2-yl]benzoic acid Traditional Name: 4-[(Z)-2-(4,4-dimethylthiochroman-6-yl)-1-methyl-vinyl]benzoic acid Formula: C21H22O2S MolecularWeight: 338.46318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC2=C(C=C1)SCCC2(C)C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C/C(=C/C1=CC2=C(C=C1)SCCC2(C)C)/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H22O2S/c1-14(16-5-7-17(8-6-16)20(22)23)12-15-4-9-19-18(13-15)21(2,3)10-11-24-19/h4-9,12-13H,10-11H2,1-3H3,(H,22,23)/b14-12-