8-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-2-yl]octyl methanesulfonate

Systemtic Name: 8-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-2-yl]octyl methanesulfonate Openeye Name: 8-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-thiochroman-2-yl]octyl methanesulfonate CAS Name: methanesulfonic acid 8-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-2-yl]octyl ester IUPAC Name: 8-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-2-yl]octyl methanesulfonate Traditional Name: methanesulfonic acid 8-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-thiochroman-2-yl]octyl ester Formula: C27H38O5S2 MolecularWeight: 506.71762

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=C(C=C2)OC)SC1CCCCCCCCOS(=O)(=O)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1(CC2=C(C=C(C=C2)OC)SC1CCCCCCCCOS(=O)(=O)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H38O5S2/c1-27(22-13-16-23(30-2)17-14-22)20-21-12-15-24(31-3)19-25(21)33-26(27)11-9-7-5-6-8-10-18-32-34(4,28)29/h12-17,19,26H,5-11,18,20H2,1-4H3