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

Systemtic Name: 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-4-phenyl-phenyl]benzoic acid Openeye Name: 4-[3-(4,4-dimethylthiochroman-6-yl)-4-phenyl-phenyl]benzoic acid CAS Name: 4-[3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)-4-phenylphenyl]benzoic acid IUPAC Name: 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-4-phenylphenyl]benzoic acid Traditional Name: 4-[3-(4,4-dimethylthiochroman-6-yl)-4-phenyl-phenyl]benzoic acid Formula: C30H26O2S MolecularWeight: 450.59124

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C3=C(C=CC(=C3)C4=CC=C(C=C4)C(=O)O)C5=CC=CC=C5)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C3=C(C=CC(=C3)C4=CC=C(C=C4)C(=O)O)C5=CC=CC=C5)C

InChI

InChI=1S/C30H26O2S/c1-30(2)16-17-33-28-15-13-24(19-27(28)30)26-18-23(20-8-10-22(11-9-20)29(31)32)12-14-25(26)21-6-4-3-5-7-21/h3-15,18-19H,16-17H2,1-2H3,(H,31,32)