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

Systemtic Name: 4-[[1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]-dodecyl-amino]-4-oxidanylidene-2-sulfo-butanoate Openeye Name: 4-[(1-carboxy-3-hydroxy-3-oxo-propyl)-dodecyl-amino]-4-oxo-2-sulfo-butanoate CAS Name: 4-[(1,4-dihydroxy-1,4-dioxobutan-2-yl)-dodecylamino]-4-oxo-2-sulfobutanoate IUPAC Name: 4-[(1,4-dihydroxy-1,4-dioxobutan-2-yl)-dodecylamino]-4-oxo-2-sulfobutanoate Traditional Name: 4-[(1-carboxy-3-hydroxy-3-keto-propyl)-lauryl-amino]-4-keto-2-sulfo-butyrate Formula: C20H34NO10S- MolecularWeight: 480.54966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H35NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-21(15(19(25)26)13-18(23)24)17(22)14-16(20(27)28)32(29,30)31/h15-16H,2-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30,31)/p-1