sodium trimethyl (1E)-7,8-bis(phenylsulfonyl)nona-1,8-diene-1,5,5-tricarboxylate

Systemtic Name: sodium trimethyl (1E)-7,8-bis(phenylsulfonyl)nona-1,8-diene-1,5,5-tricarboxylate Openeye Name: sodium trimethyl (1E)-7,8-bis(benzenesulfonyl)nona-1,8-diene-1,5,5-tricarboxylate CAS Name: sodium (1E)-7,8-bis(benzenesulfonyl)nona-1,8-diene-1,5,5-tricarboxylic acid trimethyl ester IUPAC Name: sodium trimethyl (1E)-7,8-bis(benzenesulfonyl)nona-1,8-diene-1,5,5-tricarboxylate Traditional Name: sodium (1E)-7,8-dibesylnona-1,8-diene-1,5,5-tricarboxylic acid trimethyl ester Formula: C27H29NaO10S2 MolecularWeight: 600.63293

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H29O10S2.Na/c1-20(38(31,32)21-13-7-5-8-14-21)23(39(33,34)22-15-9-6-10-16-22)19-27(25(29)36-3,26(30)37-4)18-12-11-17-24(28)35-2;/h5-11,13-17H,1,12,18-19H2,2-4H3;/q-1;+1/b17-11+;