2-[14-[(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)amino]tetradecyl]butanedioic acid

Systemtic Name: 2-[14-[(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)amino]tetradecyl]butanedioic acid Openeye Name: 2-[14-[(4-hydroxy-4-oxo-3-sulfo-butanoyl)amino]tetradecyl]butanedioic acid CAS Name: 2-[14-[(4-hydroxy-1,4-dioxo-3-sulfobutyl)amino]tetradecyl]butanedioic acid IUPAC Name: 2-[14-[(4-hydroxy-4-oxo-3-sulfobutanoyl)amino]tetradecyl]butanedioic acid Traditional Name: 2-[14-[(4-hydroxy-4-keto-3-sulfo-butanoyl)amino]tetradecyl]succinic acid Formula: C22H39NO10S MolecularWeight: 509.61076

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCNC(=O)CC(C(=O)O)S(=O)(=O)O)CCCCCCC(CC(=O)O)C(=O)O

Isomeric SMILES

C(CCCCCCCNC(=O)CC(C(=O)O)S(=O)(=O)O)CCCCCCC(CC(=O)O)C(=O)O

InChI

InChI=1S/C22H39NO10S/c24-19(16-18(22(29)30)34(31,32)33)23-14-12-10-8-6-4-2-1-3-5-7-9-11-13-17(21(27)28)15-20(25)26/h17-18H,1-16H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32,33)