methyl 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)-4-phenyl-phenyl]benzoate

Systemtic Name: methyl 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)-4-phenyl-phenyl]benzoate Openeye Name: methyl 4-[3-(4,4-dimethylthiochroman-7-yl)-4-phenyl-phenyl]benzoate CAS Name: 4-[3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-7-yl)-4-phenylphenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)-4-phenylphenyl]benzoate Traditional Name: 4-[3-(4,4-dimethylthiochroman-7-yl)-4-phenyl-phenyl]benzoic acid methyl ester Formula: C31H28O2S MolecularWeight: 464.61782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H28O2S/c1-31(2)17-18-34-29-20-25(14-16-28(29)31)27-19-24(13-15-26(27)22-7-5-4-6-8-22)21-9-11-23(12-10-21)30(32)33-3/h4-16,19-20H,17-18H2,1-3H3