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

Systemtic Name: 2-butyl-10-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]-2-methyl-decanoic acid Openeye Name: 2-butyl-10-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]-2-methyl-decanoic acid CAS Name: 2-butyl-10-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]-2-methyldecanoic acid IUPAC Name: 2-butyl-10-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]-2-methyldecanoic acid Traditional Name: 2-butyl-10-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]-2-methyl-capric acid Formula: C31H44O4S MolecularWeight: 512.74366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H44O4S/c1-4-5-19-30(2,29(34)35)20-11-9-7-6-8-10-12-27-26-18-17-25(33)21-28(26)36-22-31(27,3)23-13-15-24(32)16-14-23/h13-18,21,27,32-33H,4-12,19-20,22H2,1-3H3,(H,34,35)