7-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]-2,2-dimethyl-heptanoic acid

Systemtic Name: 7-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]-2,2-dimethyl-heptanoic acid Openeye Name: 7-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]-2,2-dimethyl-heptanoic acid CAS Name: 7-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]-2,2-dimethylheptanoic acid IUPAC Name: 7-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]-2,2-dimethylheptanoic acid Traditional Name: 7-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]-2,2-dimethyl-enanthic acid Formula: C25H32O4S MolecularWeight: 428.58418

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C1CCCCCC(C)(C)C(=O)O)C=CC(=C2)O)C3=CC=C(C=C3)O

Isomeric SMILES

CC1(CSC2=C(C1CCCCCC(C)(C)C(=O)O)C=CC(=C2)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C25H32O4S/c1-24(2,23(28)29)14-6-4-5-7-21-20-13-12-19(27)15-22(20)30-16-25(21,3)17-8-10-18(26)11-9-17/h8-13,15,21,26-27H,4-7,14,16H2,1-3H3,(H,28,29)