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

Systemtic Name: methyl 6-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]octanoate Openeye Name: methyl 6-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]octanoate CAS Name: 6-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]octanoic acid methyl ester IUPAC Name: methyl 6-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]octanoate Traditional Name: 6-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]caprylic acid methyl ester Formula: C25H32O4S MolecularWeight: 428.58418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCC(=O)OC)C1C2=C(C=C(C=C2)O)SCC1(C)C3=CC=C(C=C3)O

Isomeric SMILES

CCC(CCCCC(=O)OC)C1C2=C(C=C(C=C2)O)SCC1(C)C3=CC=C(C=C3)O

InChI

InChI=1S/C25H32O4S/c1-4-17(7-5-6-8-23(28)29-3)24-21-14-13-20(27)15-22(21)30-16-25(24,2)18-9-11-19(26)12-10-18/h9-15,17,24,26-27H,4-8,16H2,1-3H3