2-[1-(4-azanyl-4-oxidanylidene-2-sulfo-butanoyl)oxyoctadecyl]butanedioic acid

Systemtic Name: 2-[1-(4-azanyl-4-oxidanylidene-2-sulfo-butanoyl)oxyoctadecyl]butanedioic acid Openeye Name: 2-[1-(4-amino-4-oxo-2-sulfo-butanoyl)oxyoctadecyl]butanedioic acid CAS Name: 2-[1-(4-amino-1,4-dioxo-2-sulfobutoxy)octadecyl]butanedioic acid IUPAC Name: 2-[1-(4-amino-4-oxo-2-sulfobutanoyl)oxyoctadecyl]butanedioic acid Traditional Name: 2-[1-(4-amino-4-keto-2-sulfo-butanoyl)oxyoctadecyl]succinic acid Formula: C26H47NO10S MolecularWeight: 565.71708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C(CC(=O)O)C(=O)O)OC(=O)C(CC(=O)N)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C(CC(=O)O)C(=O)O)OC(=O)C(CC(=O)N)S(=O)(=O)O

InChI

InChI=1S/C26H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(20(25(31)32)18-24(29)30)37-26(33)22(19-23(27)28)38(34,35)36/h20-22H,2-19H2,1H3,(H2,27,28)(H,29,30)(H,31,32)(H,34,35,36)