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

Systemtic Name: 2-hexyl-10-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]-2-methyl-decanoic acid Openeye Name: 2-hexyl-10-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]-2-methyl-decanoic acid CAS Name: 2-hexyl-10-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]-2-methyldecanoic acid IUPAC Name: 2-hexyl-10-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]-2-methyldecanoic acid Traditional Name: 2-hexyl-10-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]-2-methyl-capric acid Formula: C33H48O4S MolecularWeight: 540.79682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(CCCCCCCCC1C2=C(C=C(C=C2)O)SCC1(C)C3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

CCCCCCC(C)(CCCCCCCCC1C2=C(C=C(C=C2)O)SCC1(C)C3=CC=C(C=C3)O)C(=O)O

InChI

InChI=1S/C33H48O4S/c1-4-5-6-12-21-32(2,31(36)37)22-13-10-8-7-9-11-14-29-28-20-19-27(35)23-30(28)38-24-33(29,3)25-15-17-26(34)18-16-25/h15-20,23,29,34-35H,4-14,21-22,24H2,1-3H3,(H,36,37)