sodium trimethyl (1E)-6,7-bis(phenylsulfonyl)octa-1,6-diene-1,4,4-tricarboxylate

Systemtic Name: sodium trimethyl (1E)-6,7-bis(phenylsulfonyl)octa-1,6-diene-1,4,4-tricarboxylate Openeye Name: sodium trimethyl (1E)-6,7-bis(benzenesulfonyl)octa-1,6-diene-1,4,4-tricarboxylate CAS Name: sodium (1E)-6,7-bis(benzenesulfonyl)octa-1,6-diene-1,4,4-tricarboxylic acid trimethyl ester IUPAC Name: sodium trimethyl (1E)-6,7-bis(benzenesulfonyl)octa-1,6-diene-1,4,4-tricarboxylate Traditional Name: sodium (1E)-6,7-dibesylocta-1,6-diene-1,4,4-tricarboxylic acid trimethyl ester Formula: C26H27NaO10S2 MolecularWeight: 586.60635

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCC(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(CC(=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/c1-19(37(30,31)20-12-7-5-8-13-20)22(38(32,33)21-14-9-6-10-15-21)18-26(24(28)35-3,25(29)36-4)17-11-16-23(27)34-2;/h5-16H,1,17-18H2,2-4H3;/q-1;+1/b16-11+,22-19?;