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

Systemtic Name: 4-[[1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]-octyl-amino]-4-oxidanylidene-2-sulfo-butanoate Openeye Name: 4-[(1-carboxy-3-hydroxy-3-oxo-propyl)-octyl-amino]-4-oxo-2-sulfo-butanoate CAS Name: 4-[(1,4-dihydroxy-1,4-dioxobutan-2-yl)-octylamino]-4-oxo-2-sulfobutanoate IUPAC Name: 4-[(1,4-dihydroxy-1,4-dioxobutan-2-yl)-octylamino]-4-oxo-2-sulfobutanoate Traditional Name: 4-[(1-carboxy-3-hydroxy-3-keto-propyl)-octyl-amino]-4-keto-2-sulfo-butyrate Formula: C16H26NO10S- MolecularWeight: 424.44334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO10S/c1-2-3-4-5-6-7-8-17(11(15(21)22)9-14(19)20)13(18)10-12(16(23)24)28(25,26)27/h11-12H,2-10H2,1H3,(H,19,20)(H,21,22)(H,23,24)(H,25,26,27)/p-1