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

Systemtic Name: methyl 6-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]decanoate Openeye Name: methyl 6-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]decanoate CAS Name: 6-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]decanoic acid methyl ester IUPAC Name: methyl 6-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]decanoate Traditional Name: 6-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]capric acid methyl ester Formula: C27H36O4S MolecularWeight: 456.63734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36O4S/c1-4-5-8-19(9-6-7-10-25(30)31-3)26-23-16-15-22(29)17-24(23)32-18-27(26,2)20-11-13-21(28)14-12-20/h11-17,19,26,28-29H,4-10,18H2,1-3H3