9-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]nonyl methanesulfonate

Systemtic Name: 9-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]nonyl methanesulfonate Openeye Name: 9-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-thiochroman-4-yl]nonyl methanesulfonate CAS Name: methanesulfonic acid 9-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]nonyl ester IUPAC Name: 9-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]nonyl methanesulfonate Traditional Name: methanesulfonic acid 9-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-thiochroman-4-yl]nonyl ester Formula: C28H40O5S2 MolecularWeight: 520.7442

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C1CCCCCCCCCOS(=O)(=O)C)C=CC(=C2)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1(CSC2=C(C1CCCCCCCCCOS(=O)(=O)C)C=CC(=C2)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C28H40O5S2/c1-28(22-13-15-23(31-2)16-14-22)21-34-27-20-24(32-3)17-18-25(27)26(28)12-10-8-6-5-7-9-11-19-33-35(4,29)30/h13-18,20,26H,5-12,19,21H2,1-4H3