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

Systemtic Name: [2-[2-oxidanyl-1,3-bis(oxidanylidene)inden-2-yl]-3-oxidanylidene-cyclohexen-1-yl] 4-methylbenzenesulfonate Openeye Name: [2-(2-hydroxy-1,3-dioxo-indan-2-yl)-3-oxo-cyclohexen-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(2-hydroxy-1,3-dioxo-2-indenyl)-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-hydroxy-1,3-dioxoinden-2-yl)-3-oxocyclohexen-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(2-hydroxy-1,3-diketo-indan-2-yl)-3-keto-cyclohexen-1-yl] ester Formula: C22H18O7S MolecularWeight: 426.43912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)CCC2)C3(C(=O)C4=CC=CC=C4C3=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)CCC2)C3(C(=O)C4=CC=CC=C4C3=O)O

InChI

InChI=1S/C22H18O7S/c1-13-9-11-14(12-10-13)30(27,28)29-18-8-4-7-17(23)19(18)22(26)20(24)15-5-2-3-6-16(15)21(22)25/h2-3,5-6,9-12,26H,4,7-8H2,1H3