(8,9-dimethoxy-4-oxidanylidene-2,3,5,6-tetrahydro-1H-benzo[e]azulen-10-yl) 4-methylbenzenesulfonate

Systemtic Name: (8,9-dimethoxy-4-oxidanylidene-2,3,5,6-tetrahydro-1H-benzo[e]azulen-10-yl) 4-methylbenzenesulfonate Openeye Name: (8,9-dimethoxy-4-oxo-2,3,5,6-tetrahydro-1H-benzo[e]azulen-10-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (8,9-dimethoxy-4-oxo-2,3,5,6-tetrahydro-1H-benzo[e]azulen-10-yl) ester IUPAC Name: (8,9-dimethoxy-4-oxo-2,3,5,6-tetrahydro-1H-benzo[e]azulen-10-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-keto-8,9-dimethoxy-2,3,5,6-tetrahydro-1H-benz[e]azulen-10-yl) ester Formula: C23H24O6S MolecularWeight: 428.49806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=C2OC)OC)CCC(=O)C4=C3CCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=C2OC)OC)CCC(=O)C4=C3CCC4

InChI

InChI=1S/C23H24O6S/c1-14-7-10-16(11-8-14)30(25,26)29-23-21-15(13-20(27-2)22(23)28-3)9-12-19(24)17-5-4-6-18(17)21/h7-8,10-11,13H,4-6,9,12H2,1-3H3