4-[(E)-3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-5-phenyl-pent-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-5-phenyl-pent-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-(4,4-dimethylthiochroman-6-yl)-5-phenyl-pent-1-enyl]benzoic acid CAS Name: 4-[(E)-3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)-5-phenylpent-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-5-phenylpent-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-(4,4-dimethylthiochroman-6-yl)-5-phenyl-pent-1-enyl]benzoic acid Formula: C29H30O2S MolecularWeight: 442.6123

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C(CCC3=CC=CC=C3)C=CC4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C(CCC3=CC=CC=C3)/C=C/C4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C29H30O2S/c1-29(2)18-19-32-27-17-16-25(20-26(27)29)23(12-8-21-6-4-3-5-7-21)13-9-22-10-14-24(15-11-22)28(30)31/h3-7,9-11,13-17,20,23H,8,12,18-19H2,1-2H3,(H,30,31)/b13-9+