methyl 6-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]hexanoate

Systemtic Name: methyl 6-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]hexanoate Openeye Name: methyl 6-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]hexanoate CAS Name: 6-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]hexanoic acid methyl ester IUPAC Name: methyl 6-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]hexanoate Traditional Name: 6-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]hexanoic acid methyl ester Formula: C23H28O4S MolecularWeight: 400.53102

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C1CCCCCC(=O)OC)C=CC(=C2)O)C3=CC=C(C=C3)O

Isomeric SMILES

CC1(CSC2=C(C1CCCCCC(=O)OC)C=CC(=C2)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C23H28O4S/c1-23(16-8-10-17(24)11-9-16)15-28-21-14-18(25)12-13-19(21)20(23)6-4-3-5-7-22(26)27-2/h8-14,20,24-25H,3-7,15H2,1-2H3