[1,2-dimethoxy-10-oxidanyl-7,9-bis(oxidanylidene)-5,6-dihydrobenzo[a]heptalen-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [1,2-dimethoxy-10-oxidanyl-7,9-bis(oxidanylidene)-5,6-dihydrobenzo[a]heptalen-3-yl] 4-methylbenzenesulfonate Openeye Name: (10-hydroxy-1,2-dimethoxy-7,9-dioxo-5,6-dihydrobenzo[a]heptalen-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (10-hydroxy-1,2-dimethoxy-7,9-dioxo-5,6-dihydrobenzo[a]heptalen-3-yl) ester IUPAC Name: (10-hydroxy-1,2-dimethoxy-7,9-dioxo-5,6-dihydrobenzo[a]heptalen-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (10-hydroxy-7,9-diketo-1,2-dimethoxy-5,6-dihydrobenzo[a]heptalen-3-yl) ester Formula: C25H22O8S MolecularWeight: 482.50238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C3C(=C2)CCC(=O)C4=CC(=O)C(=CC=C43)O)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C3C(=C2)CCC(=O)C4=CC(=O)C(=CC=C43)O)OC)OC

InChI

InChI=1S/C25H22O8S/c1-14-4-7-16(8-5-14)34(29,30)33-22-12-15-6-10-19(26)18-13-21(28)20(27)11-9-17(18)23(15)25(32-3)24(22)31-2/h4-5,7-9,11-13H,6,10H2,1-3H3,(H,27,28)