trimethyl (1E)-7-(phenylsulfonyl)nona-1,7,8-triene-1,5,5-tricarboxylate

Systemtic Name: trimethyl (1E)-7-(phenylsulfonyl)nona-1,7,8-triene-1,5,5-tricarboxylate Openeye Name: trimethyl (1E)-7-(benzenesulfonyl)nona-1,7,8-triene-1,5,5-tricarboxylate CAS Name: (1E)-7-(benzenesulfonyl)nona-1,7,8-triene-1,5,5-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl (1E)-7-(benzenesulfonyl)nona-1,7,8-triene-1,5,5-tricarboxylate Traditional Name: (1E)-7-besylnona-1,7,8-triene-1,5,5-tricarboxylic acid trimethyl ester Formula: C21H24O8S MolecularWeight: 436.47546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCCC(CC(=C=C)S(=O)(=O)C1=CC=CC=C1)(C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)/C=C/CCC(CC(=C=C)S(=O)(=O)C1=CC=CC=C1)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H24O8S/c1-5-16(30(25,26)17-11-7-6-8-12-17)15-21(19(23)28-3,20(24)29-4)14-10-9-13-18(22)27-2/h6-9,11-13H,1,10,14-15H2,2-4H3/b13-9+