[2-[2-oxidanyl-1,3-bis(oxidanylidene)inden-2-yl]-3-oxidanylidene-cyclopenten-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-[2-oxidanyl-1,3-bis(oxidanylidene)inden-2-yl]-3-oxidanylidene-cyclopenten-1-yl] 4-methylbenzenesulfonate Openeye Name: [2-(2-hydroxy-1,3-dioxo-indan-2-yl)-3-oxo-cyclopenten-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(2-hydroxy-1,3-dioxo-2-indenyl)-3-oxo-1-cyclopentenyl] ester IUPAC Name: [2-(2-hydroxy-1,3-dioxoinden-2-yl)-3-oxocyclopenten-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(2-hydroxy-1,3-diketo-indan-2-yl)-3-keto-cyclopenten-1-yl] ester Formula: C21H16O7S MolecularWeight: 412.41254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)CC2)C3(C(=O)C4=CC=CC=C4C3=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)CC2)C3(C(=O)C4=CC=CC=C4C3=O)O

InChI

InChI=1S/C21H16O7S/c1-12-6-8-13(9-7-12)29(26,27)28-17-11-10-16(22)18(17)21(25)19(23)14-4-2-3-5-15(14)20(21)24/h2-9,25H,10-11H2,1H3