methyl 10-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]decanoate

Systemtic Name: methyl 10-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]decanoate Openeye Name: methyl 10-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]decanoate CAS Name: 10-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]decanoic acid methyl ester IUPAC Name: methyl 10-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]decanoate Traditional Name: 10-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]capric acid methyl ester Formula: C27H36O4S MolecularWeight: 456.63734

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C1CCCCCCCCCC(=O)OC)C=CC(=C2)O)C3=CC=C(C=C3)O

Isomeric SMILES

CC1(CSC2=C(C1CCCCCCCCCC(=O)OC)C=CC(=C2)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C27H36O4S/c1-27(20-12-14-21(28)15-13-20)19-32-25-18-22(29)16-17-23(25)24(27)10-8-6-4-3-5-7-9-11-26(30)31-2/h12-18,24,28-29H,3-11,19H2,1-2H3