[2-methoxy-4-[5,7,8-trimethoxy-3-(4-methylphenyl)sulfonyloxy-6-oxidanyl-4-oxidanylidene-chromen-2-yl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[5,7,8-trimethoxy-3-(4-methylphenyl)sulfonyloxy-6-oxidanyl-4-oxidanylidene-chromen-2-yl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[6-hydroxy-5,7,8-trimethoxy-4-oxo-3-(p-tolylsulfonyloxy)chromen-2-yl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[6-hydroxy-5,7,8-trimethoxy-3-(4-methylphenyl)sulfonyloxy-4-oxo-1-benzopyran-2-yl]-2-methoxyphenyl] ester IUPAC Name: [4-[6-hydroxy-5,7,8-trimethoxy-3-(4-methylphenyl)sulfonyloxy-4-oxochromen-2-yl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(6-hydroxy-4-keto-5,7,8-trimethoxy-3-tosyloxy-chromen-2-yl)-2-methoxy-phenyl] ester Formula: C33H30O13S2 MolecularWeight: 698.7135

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C3=C(C(=O)C4=C(O3)C(=C(C(=C4OC)O)OC)OC)OS(=O)(=O)C5=CC=C(C=C5)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C3=C(C(=O)C4=C(O3)C(=C(C(=C4OC)O)OC)OC)OS(=O)(=O)C5=CC=C(C=C5)C)OC

InChI

InChI=1S/C33H30O13S2/c1-18-7-12-21(13-8-18)47(36,37)45-23-16-11-20(17-24(23)40-3)28-32(46-48(38,39)22-14-9-19(2)10-15-22)26(34)25-29(41-4)27(35)31(42-5)33(43-6)30(25)44-28/h7-17,35H,1-6H3