disodium 4-[2-[2-hydroxyethyl-[3-(3-oxidanyltridecylamino)propanoyl]amino]ethoxy]-4-oxidanylidene-2-sulfonato-butanoate

Systemtic Name: disodium 4-[2-[2-hydroxyethyl-[3-(3-oxidanyltridecylamino)propanoyl]amino]ethoxy]-4-oxidanylidene-2-sulfonato-butanoate Openeye Name: disodium 4-[2-[2-hydroxyethyl-[3-(3-hydroxytridecylamino)propanoyl]amino]ethoxy]-4-oxo-2-sulfonato-butanoate CAS Name: disodium 4-[2-[2-hydroxyethyl-[3-(3-hydroxytridecylamino)-1-oxopropyl]amino]ethoxy]-4-oxo-2-sulfonatobutanoate IUPAC Name: disodium 4-[2-[2-hydroxyethyl-[3-(3-hydroxytridecylamino)propanoyl]amino]ethoxy]-4-oxo-2-sulfonatobutanoate Traditional Name: disodium 4-[2-[2-hydroxyethyl-[3-(3-hydroxytridecylamino)propanoyl]amino]ethoxy]-4-keto-2-sulfonato-butyrate Formula: C24H44N2Na2O10S MolecularWeight: 598.6581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCNCCC(=O)N(CCO)CCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCC(CCNCCC(=O)N(CCO)CCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C24H46N2O10S.2Na/c1-2-3-4-5-6-7-8-9-10-20(28)11-13-25-14-12-22(29)26(15-17-27)16-18-36-23(30)19-21(24(31)32)37(33,34)35;;/h20-21,25,27-28H,2-19H2,1H3,(H,31,32)(H,33,34,35);;/q;2*+1/p-2