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

Systemtic Name: (1,9,10-trimethoxy-4-oxidanylidene-2,3,5,6-tetrahydro-1H-benzo[e]azulen-8-yl) 4-methylbenzenesulfonate Openeye Name: (1,9,10-trimethoxy-4-oxo-2,3,5,6-tetrahydro-1H-benzo[e]azulen-8-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1,9,10-trimethoxy-4-oxo-2,3,5,6-tetrahydro-1H-benzo[e]azulen-8-yl) ester IUPAC Name: (1,9,10-trimethoxy-4-oxo-2,3,5,6-tetrahydro-1H-benzo[e]azulen-8-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-keto-1,9,10-trimethoxy-2,3,5,6-tetrahydro-1H-benz[e]azulen-8-yl) ester Formula: C24H26O7S MolecularWeight: 458.52404

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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=C3C(CC4)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C3C(=C2)CCC(=O)C4=C3C(CC4)OC)OC)OC

InChI

InChI=1S/C24H26O7S/c1-14-5-8-16(9-6-14)32(26,27)31-20-13-15-7-11-18(25)17-10-12-19(28-2)22(17)21(15)24(30-4)23(20)29-3/h5-6,8-9,13,19H,7,10-12H2,1-4H3