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

Systemtic Name: 4-[[1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]-octadecyl-amino]-4-oxidanylidene-2-sulfo-butanoate Openeye Name: 4-[(1-carboxy-3-hydroxy-3-oxo-propyl)-octadecyl-amino]-4-oxo-2-sulfo-butanoate CAS Name: 4-[(1,4-dihydroxy-1,4-dioxobutan-2-yl)-octadecylamino]-4-oxo-2-sulfobutanoate IUPAC Name: 4-[(1,4-dihydroxy-1,4-dioxobutan-2-yl)-octadecylamino]-4-oxo-2-sulfobutanoate Traditional Name: 4-[(1-carboxy-3-hydroxy-3-keto-propyl)-stearyl-amino]-4-keto-2-sulfo-butyrate Formula: C26H46NO10S- MolecularWeight: 564.70914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(21(25(31)32)19-24(29)30)23(28)20-22(26(33)34)38(35,36)37/h21-22H,2-20H2,1H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36,37)/p-1