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

Systemtic Name: 7-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]-2-methyl-heptanoic acid Openeye Name: 7-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]-2-methyl-heptanoic acid CAS Name: 7-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]-2-methylheptanoic acid IUPAC Name: 7-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]-2-methylheptanoic acid Traditional Name: 7-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]-2-methyl-enanthic acid Formula: C24H30O4S MolecularWeight: 414.5576

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCC1C2=C(C=C(C=C2)O)SCC1(C)C3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

CC(CCCCCC1C2=C(C=C(C=C2)O)SCC1(C)C3=CC=C(C=C3)O)C(=O)O

InChI

InChI=1S/C24H30O4S/c1-16(23(27)28)6-4-3-5-7-21-20-13-12-19(26)14-22(20)29-15-24(21,2)17-8-10-18(25)11-9-17/h8-14,16,21,25-26H,3-7,15H2,1-2H3,(H,27,28)