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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C1CCCCCCCCOS(=O)(=O)C)C=CC(=C2)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1(CSC2=C(C1CCCCCCCCOS(=O)(=O)C)C=CC(=C2)OC)C3=CC=C(C=C3)OC

InChI

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