[3,7-dimethoxy-8-(methoxymethoxy)-2-(4-methoxyphenyl)-4-oxidanylidene-chromen-5-yl] 4-methylbenzenesulfonate

Systemtic Name: [3,7-dimethoxy-8-(methoxymethoxy)-2-(4-methoxyphenyl)-4-oxidanylidene-chromen-5-yl] 4-methylbenzenesulfonate Openeye Name: [3,7-dimethoxy-8-(methoxymethoxy)-2-(4-methoxyphenyl)-4-oxo-chromen-5-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3,7-dimethoxy-8-(methoxymethoxy)-2-(4-methoxyphenyl)-4-oxo-1-benzopyran-5-yl] ester IUPAC Name: [3,7-dimethoxy-8-(methoxymethoxy)-2-(4-methoxyphenyl)-4-oxochromen-5-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-keto-3,7-dimethoxy-8-(methoxymethoxy)-2-(4-methoxyphenyl)chromen-5-yl] ester Formula: C27H26O10S MolecularWeight: 542.55434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C3=C2C(=O)C(=C(O3)C4=CC=C(C=C4)OC)OC)OCOC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C3=C2C(=O)C(=C(O3)C4=CC=C(C=C4)OC)OC)OCOC)OC

InChI

InChI=1S/C27H26O10S/c1-16-6-12-19(13-7-16)38(29,30)37-20-14-21(33-4)25(35-15-31-2)26-22(20)23(28)27(34-5)24(36-26)17-8-10-18(32-3)11-9-17/h6-14H,15H2,1-5H3