5-[3-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]propoxy]pentyl methanesulfonate

Systemtic Name: 5-[3-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]propoxy]pentyl methanesulfonate Openeye Name: 5-[3-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-thiochroman-4-yl]propoxy]pentyl methanesulfonate CAS Name: methanesulfonic acid 5-[3-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]propoxy]pentyl ester IUPAC Name: 5-[3-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]propoxy]pentyl methanesulfonate Traditional Name: methanesulfonic acid 5-[3-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-thiochroman-4-yl]propoxy]pentyl ester Formula: C27H38O6S2 MolecularWeight: 522.71702

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C1CCCOCCCCCOS(=O)(=O)C)C=CC(=C2)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1(CSC2=C(C1CCCOCCCCCOS(=O)(=O)C)C=CC(=C2)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H38O6S2/c1-27(21-10-12-22(30-2)13-11-21)20-34-26-19-23(31-3)14-15-24(26)25(27)9-8-17-32-16-6-5-7-18-33-35(4,28)29/h10-15,19,25H,5-9,16-18,20H2,1-4H3