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

Systemtic Name: 4-[(E)-3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-4-phenyl-but-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-(4,4-dimethylthiochroman-6-yl)-4-phenyl-but-1-enyl]benzoic acid CAS Name: 4-[(E)-3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)-4-phenylbut-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-4-phenylbut-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-(4,4-dimethylthiochroman-6-yl)-4-phenyl-but-1-enyl]benzoic acid Formula: C28H28O2S MolecularWeight: 428.58572

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C(CC3=CC=CC=C3)C=CC4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C(CC3=CC=CC=C3)/C=C/C4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C28H28O2S/c1-28(2)16-17-31-26-15-14-24(19-25(26)28)23(18-21-6-4-3-5-7-21)13-10-20-8-11-22(12-9-20)27(29)30/h3-15,19,23H,16-18H2,1-2H3,(H,29,30)/b13-10+