6-[9-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]nonylsulfinyl]hexanoic acid

Systemtic Name: 6-[9-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]nonylsulfinyl]hexanoic acid Openeye Name: 6-[9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]nonylsulfinyl]hexanoic acid CAS Name: 6-[9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]nonylsulfinyl]hexanoic acid IUPAC Name: 6-[9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]nonylsulfinyl]hexanoic acid Traditional Name: 6-[9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]nonylsulfinyl]hexanoic acid Formula: C31H44O5S2 MolecularWeight: 560.80806

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C1CCCCCCCCCS(=O)CCCCCC(=O)O)C=CC(=C2)O)C3=CC=C(C=C3)O

Isomeric SMILES

CC1(CSC2=C(C1CCCCCCCCCS(=O)CCCCCC(=O)O)C=CC(=C2)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C31H44O5S2/c1-31(24-14-16-25(32)17-15-24)23-37-29-22-26(33)18-19-27(29)28(31)12-8-5-3-2-4-6-10-20-38(36)21-11-7-9-13-30(34)35/h14-19,22,28,32-33H,2-13,20-21,23H2,1H3,(H,34,35)