sodium (E)-5,9-bis(azanyl)-5,9-didodecyl-7-oxidanyl-4,10-bis(oxidanylidene)tridec-2-enedioate

Systemtic Name: sodium (E)-5,9-bis(azanyl)-5,9-didodecyl-7-oxidanyl-4,10-bis(oxidanylidene)tridec-2-enedioate Openeye Name: sodium (E)-5,9-diamino-5,9-didodecyl-7-hydroxy-4,10-dioxo-tridec-2-enedioate CAS Name: sodium (E)-5,9-diamino-5,9-didodecyl-7-hydroxy-4,10-dioxo-2-tridecenedioate IUPAC Name: sodium (E)-5,9-diamino-5,9-didodecyl-7-hydroxy-4,10-dioxotridec-2-enedioate Traditional Name: sodium (E)-5,9-diamino-7-hydroxy-4,10-diketo-5,9-dilauryl-tridec-2-enedioate Formula: C37H66N2NaO7- MolecularWeight: 673.91891

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CC(CC(CCCCCCCCCCCC)(C(=O)C=CC(=O)[O-])N)O)(C(=O)CCC(=O)[O-])N.[Na+]

Isomeric SMILES

CCCCCCCCCCCCC(CC(CC(CCCCCCCCCCCC)(C(=O)/C=C/C(=O)[O-])N)O)(C(=O)CCC(=O)[O-])N.[Na+]

InChI

InChI=1S/C37H68N2O7.Na/c1-3-5-7-9-11-13-15-17-19-21-27-36(38,32(41)23-25-34(43)44)29-31(40)30-37(39,33(42)24-26-35(45)46)28-22-20-18-16-14-12-10-8-6-4-2;/h23,25,31,40H,3-22,24,26-30,38-39H2,1-2H3,(H,43,44)(H,45,46);/q;+1/p-2/b25-23+;