[(2R,3S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl] 4-methylbenzenesulfonate Openeye Name: [(2R,3S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-chroman-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2R,3S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-chroman-3-yl] ester Formula: C26H28O8S MolecularWeight: 500.56072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC3=C(C=C(C=C3OC2C4=CC(=C(C=C4)OC)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CC3=C(C=C(C=C3O[C@@H]2C4=CC(=C(C=C4)OC)OC)OC)OC

InChI

InChI=1S/C26H28O8S/c1-16-6-9-19(10-7-16)35(27,28)34-25-15-20-22(31-4)13-18(29-2)14-23(20)33-26(25)17-8-11-21(30-3)24(12-17)32-5/h6-14,25-26H,15H2,1-5H3/t25-,26+/m0/s1