(9,10-dimethoxy-4-oxidanylidene-5,6-dihydro-1H-benzo[e]azulen-8-yl) 4-methylbenzenesulfonate

Systemtic Name: (9,10-dimethoxy-4-oxidanylidene-5,6-dihydro-1H-benzo[e]azulen-8-yl) 4-methylbenzenesulfonate Openeye Name: (9,10-dimethoxy-4-oxo-5,6-dihydro-1H-benzo[e]azulen-8-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (9,10-dimethoxy-4-oxo-5,6-dihydro-1H-benzo[e]azulen-8-yl) ester IUPAC Name: (9,10-dimethoxy-4-oxo-5,6-dihydro-1H-benzo[e]azulen-8-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-keto-9,10-dimethoxy-5,6-dihydro-1H-benz[e]azulen-8-yl) ester Formula: C23H22O6S MolecularWeight: 426.48218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C3C(=C2)CCC(=O)C4=C3CC=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C3C(=C2)CCC(=O)C4=C3CC=C4)OC)OC

InChI

InChI=1S/C23H22O6S/c1-14-7-10-16(11-8-14)30(25,26)29-20-13-15-9-12-19(24)17-5-4-6-18(17)21(15)23(28-3)22(20)27-2/h4-5,7-8,10-11,13H,6,9,12H2,1-3H3