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

Systemtic Name: [4-[3,8-dimethoxy-5,6,7-tris(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-methoxy-4-(5,6,7-trihydroxy-3,8-dimethoxy-4-oxo-chromen-2-yl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-4-(5,6,7-trihydroxy-3,8-dimethoxy-4-oxo-1-benzopyran-2-yl)phenyl] ester IUPAC Name: [2-methoxy-4-(5,6,7-trihydroxy-3,8-dimethoxy-4-oxochromen-2-yl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-methoxy-4-(5,6,7-trihydroxy-4-keto-3,8-dimethoxy-chromen-2-yl)phenyl] ester Formula: C25H22O11S MolecularWeight: 530.50058

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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(=C4O)O)O)OC)OC)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(=C4O)O)O)OC)OC)OC

InChI

InChI=1S/C25H22O11S/c1-12-5-8-14(9-6-12)37(30,31)36-15-10-7-13(11-16(15)32-2)22-24(33-3)19(27)17-18(26)20(28)21(29)25(34-4)23(17)35-22/h5-11,26,28-29H,1-4H3