[5-methoxy-5-(4-methoxyphenyl)-2,3-bis(oxidanyl)-4-sulfanyl-pentyl] 4-methylbenzenesulfonate

Systemtic Name: [5-methoxy-5-(4-methoxyphenyl)-2,3-bis(oxidanyl)-4-sulfanyl-pentyl] 4-methylbenzenesulfonate Openeye Name: [2,3-dihydroxy-5-methoxy-5-(4-methoxyphenyl)-4-sulfanyl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,3-dihydroxy-4-mercapto-5-methoxy-5-(4-methoxyphenyl)pentyl] ester IUPAC Name: [2,3-dihydroxy-5-methoxy-5-(4-methoxyphenyl)-4-sulfanylpentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2,3-dihydroxy-4-mercapto-5-methoxy-5-(4-methoxyphenyl)pentyl] ester Formula: C20H26O7S2 MolecularWeight: 442.54624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(C(C2=CC=C(C=C2)OC)OC)S)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(C(C2=CC=C(C=C2)OC)OC)S)O)O

InChI

InChI=1S/C20H26O7S2/c1-13-4-10-16(11-5-13)29(23,24)27-12-17(21)18(22)20(28)19(26-3)14-6-8-15(25-2)9-7-14/h4-11,17-22,28H,12H2,1-3H3