sodium 5,7-bis(azanyl)-5-decyl-10-oxidanyl-4,9-bis(oxidanylidene)tridecanedioate

Systemtic Name: sodium 5,7-bis(azanyl)-5-decyl-10-oxidanyl-4,9-bis(oxidanylidene)tridecanedioate Openeye Name: sodium 5,7-diamino-5-decyl-10-hydroxy-4,9-dioxo-tridecanedioate CAS Name: sodium 5,7-diamino-5-decyl-10-hydroxy-4,9-dioxotridecanedioate IUPAC Name: sodium 5,7-diamino-5-decyl-10-hydroxy-4,9-dioxotridecanedioate Traditional Name: sodium 5,7-diamino-5-decyl-10-hydroxy-4,9-diketo-brassylate Formula: C23H40N2NaO7- MolecularWeight: 479.56267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H42N2O7.Na/c1-2-3-4-5-6-7-8-9-14-23(25,20(28)11-13-22(31)32)16-17(24)15-19(27)18(26)10-12-21(29)30;/h17-18,26H,2-16,24-25H2,1H3,(H,29,30)(H,31,32);/q;+1/p-2