sodium trimethyl (6Z)-6,7-bis(phenylsulfonyl)octa-1,6-diene-1,3,3-tricarboxylate

Systemtic Name: sodium trimethyl (6Z)-6,7-bis(phenylsulfonyl)octa-1,6-diene-1,3,3-tricarboxylate Openeye Name: sodium trimethyl (6Z)-6,7-bis(benzenesulfonyl)octa-1,6-diene-1,3,3-tricarboxylate CAS Name: sodium (6Z)-6,7-bis(benzenesulfonyl)octa-1,6-diene-1,3,3-tricarboxylic acid trimethyl ester IUPAC Name: sodium trimethyl (6Z)-6,7-bis(benzenesulfonyl)octa-1,6-diene-1,3,3-tricarboxylate Traditional Name: sodium (6Z)-6,7-dibesylocta-1,6-diene-1,3,3-tricarboxylic acid trimethyl ester Formula: C26H27NaO10S2 MolecularWeight: 586.60635

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C)CC(CC(=C([CH2-])S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)(C(=O)OC)C(=O)OC.[Na+]

Isomeric SMILES

COC(=O)C(=C)CC(C/C(=C(\[CH2-])/S(=O)(=O)C1=CC=CC=C1)/S(=O)(=O)C2=CC=CC=C2)(C(=O)OC)C(=O)OC.[Na+]

InChI

InChI=1S/C26H27O10S2.Na/c1-18(23(27)34-3)16-26(24(28)35-4,25(29)36-5)17-22(38(32,33)21-14-10-7-11-15-21)19(2)37(30,31)20-12-8-6-9-13-20;/h6-15H,1-2,16-17H2,3-5H3;/q-1;+1/b22-19-;