4-[[1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]-decyl-amino]-4-oxidanylidene-2-sulfo-butanoate

Systemtic Name: 4-[[1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]-decyl-amino]-4-oxidanylidene-2-sulfo-butanoate Openeye Name: 4-[(1-carboxy-3-hydroxy-3-oxo-propyl)-decyl-amino]-4-oxo-2-sulfo-butanoate CAS Name: 4-[decyl-(1,4-dihydroxy-1,4-dioxobutan-2-yl)amino]-4-oxo-2-sulfobutanoate IUPAC Name: 4-[decyl-(1,4-dihydroxy-1,4-dioxobutan-2-yl)amino]-4-oxo-2-sulfobutanoate Traditional Name: 4-[(1-carboxy-3-hydroxy-3-keto-propyl)-decyl-amino]-4-keto-2-sulfo-butyrate Formula: C18H30NO10S- MolecularWeight: 452.4965

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN(C(CC(=O)O)C(=O)O)C(=O)CC(C(=O)[O-])S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCN(C(CC(=O)O)C(=O)O)C(=O)CC(C(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C18H31NO10S/c1-2-3-4-5-6-7-8-9-10-19(13(17(23)24)11-16(21)22)15(20)12-14(18(25)26)30(27,28)29/h13-14H,2-12H2,1H3,(H,21,22)(H,23,24)(H,25,26)(H,27,28,29)/p-1