[2-ethanoyl-3-methoxy-6-(methoxymethoxy)-8-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-ethanoyl-3-methoxy-6-(methoxymethoxy)-8-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl] 4-methylbenzenesulfonate Openeye Name: [2-acetyl-8-hydroxy-3-methoxy-6-(methoxymethoxy)-9,10-dioxo-1-anthryl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-acetyl-8-hydroxy-3-methoxy-6-(methoxymethoxy)-9,10-dioxo-1-anthracenyl] ester IUPAC Name: [2-acetyl-8-hydroxy-3-methoxy-6-(methoxymethoxy)-9,10-dioxoanthracen-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-acetyl-8-hydroxy-9,10-diketo-3-methoxy-6-(methoxymethoxy)-1-anthryl] ester Formula: C26H22O10S MolecularWeight: 526.51188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=C2C(=O)C)OC)C(=O)C4=CC(=CC(=C4C3=O)O)OCOC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=C2C(=O)C)OC)C(=O)C4=CC(=CC(=C4C3=O)O)OCOC

InChI

InChI=1S/C26H22O10S/c1-13-5-7-16(8-6-13)37(31,32)36-26-21(14(2)27)20(34-4)11-18-23(26)25(30)22-17(24(18)29)9-15(10-19(22)28)35-12-33-3/h5-11,28H,12H2,1-4H3