8-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]octanoic acid

Systemtic Name: 8-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]octanoic acid Openeye Name: 8-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]octanoic acid CAS Name: 8-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]octanoic acid IUPAC Name: 8-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]octanoic acid Traditional Name: 8-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]caprylic acid Formula: C24H30O4S MolecularWeight: 414.5576

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C1CCCCCCCC(=O)O)C=CC(=C2)O)C3=CC=C(C=C3)O

Isomeric SMILES

CC1(CSC2=C(C1CCCCCCCC(=O)O)C=CC(=C2)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C24H30O4S/c1-24(17-9-11-18(25)12-10-17)16-29-22-15-19(26)13-14-20(22)21(24)7-5-3-2-4-6-8-23(27)28/h9-15,21,25-26H,2-8,16H2,1H3,(H,27,28)