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

Systemtic Name: 2-butyl-2-ethyl-11-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]undecanoic acid Openeye Name: 2-butyl-2-ethyl-11-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]undecanoic acid CAS Name: 2-butyl-2-ethyl-11-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]undecanoic acid IUPAC Name: 2-butyl-2-ethyl-11-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]undecanoic acid Traditional Name: 2-butyl-2-ethyl-11-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]undecanoic acid Formula: C33H48O4S MolecularWeight: 540.79682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H48O4S/c1-4-6-21-33(5-2,31(36)37)22-13-11-9-7-8-10-12-14-29-28-20-19-27(35)23-30(28)38-24-32(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)