10-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]decanoic acid

Systemtic Name: 10-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]decanoic acid Openeye Name: 10-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]decanoic acid CAS Name: 10-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]decanoic acid IUPAC Name: 10-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]decanoic acid Traditional Name: 10-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]capric acid Formula: C26H34O4S MolecularWeight: 442.61076

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C1CCCCCCCCCC(=O)O)C=CC(=C2)O)C3=CC=C(C=C3)O

Isomeric SMILES

CC1(CSC2=C(C1CCCCCCCCCC(=O)O)C=CC(=C2)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C26H34O4S/c1-26(19-11-13-20(27)14-12-19)18-31-24-17-21(28)15-16-22(24)23(26)9-7-5-3-2-4-6-8-10-25(29)30/h11-17,23,27-28H,2-10,18H2,1H3,(H,29,30)