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

Systemtic Name: [8-methoxy-2-(3-methoxy-4-phenylmethoxy-phenyl)-5,6,7-tris(oxidanyl)-4-oxidanylidene-chromen-3-yl] 4-methylbenzenesulfonate Openeye Name: [2-(4-benzyloxy-3-methoxy-phenyl)-5,6,7-trihydroxy-8-methoxy-4-oxo-chromen-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5,6,7-trihydroxy-8-methoxy-2-(3-methoxy-4-phenylmethoxyphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [5,6,7-trihydroxy-8-methoxy-2-(3-methoxy-4-phenylmethoxyphenyl)-4-oxochromen-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(4-benzoxy-3-methoxy-phenyl)-5,6,7-trihydroxy-4-keto-8-methoxy-chromen-3-yl] ester Formula: C31H26O11S MolecularWeight: 606.59654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(OC3=C(C2=O)C(=C(C(=C3OC)O)O)O)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(OC3=C(C2=O)C(=C(C(=C3OC)O)O)O)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC

InChI

InChI=1S/C31H26O11S/c1-17-9-12-20(13-10-17)43(36,37)42-31-25(33)23-24(32)26(34)27(35)30(39-3)29(23)41-28(31)19-11-14-21(22(15-19)38-2)40-16-18-7-5-4-6-8-18/h4-15,32,34-35H,16H2,1-3H3