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

Systemtic Name: 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-4-(4-hydroxyphenyl)phenyl]benzoic acid Openeye Name: 4-[3-(4,4-dimethylthiochroman-6-yl)-4-(4-hydroxyphenyl)phenyl]benzoic acid CAS Name: 4-[3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)-4-(4-hydroxyphenyl)phenyl]benzoic acid IUPAC Name: 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-4-(4-hydroxyphenyl)phenyl]benzoic acid Traditional Name: 4-[3-(4,4-dimethylthiochroman-6-yl)-4-(4-hydroxyphenyl)phenyl]benzoic acid Formula: C30H26O3S MolecularWeight: 466.59064

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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=C(C=C5)O)C

Isomeric SMILES

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

InChI

InChI=1S/C30H26O3S/c1-30(2)15-16-34-28-14-10-23(18-27(28)30)26-17-22(19-3-5-21(6-4-19)29(32)33)9-13-25(26)20-7-11-24(31)12-8-20/h3-14,17-18,31H,15-16H2,1-2H3,(H,32,33)