2-butyl-11-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]-2-methyl-undecanoic acid

Systemtic Name: 2-butyl-11-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]-2-methyl-undecanoic acid Openeye Name: 2-butyl-11-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]-2-methyl-undecanoic acid CAS Name: 2-butyl-11-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]-2-methylundecanoic acid IUPAC Name: 2-butyl-11-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]-2-methylundecanoic acid Traditional Name: 2-butyl-11-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]-2-methyl-undecanoic acid Formula: C32H46O4S MolecularWeight: 526.77024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CCCCCCCCCC1C2=C(C=C(C=C2)O)SCC1(C)C3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

CCCCC(C)(CCCCCCCCCC1C2=C(C=C(C=C2)O)SCC1(C)C3=CC=C(C=C3)O)C(=O)O

InChI

InChI=1S/C32H46O4S/c1-4-5-20-31(2,30(35)36)21-12-10-8-6-7-9-11-13-28-27-19-18-26(34)22-29(27)37-23-32(28,3)24-14-16-25(33)17-15-24/h14-19,22,28,33-34H,4-13,20-21,23H2,1-3H3,(H,35,36)