4-[dodecyl-[3-[dodecyl-(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)amino]-2-oxidanyl-propyl]amino]-4-oxidanylidene-2-sulfo-butanoic acid

Systemtic Name: 4-[dodecyl-[3-[dodecyl-(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)amino]-2-oxidanyl-propyl]amino]-4-oxidanylidene-2-sulfo-butanoic acid Openeye Name: 4-[dodecyl-[3-[dodecyl-(4-hydroxy-4-oxo-3-sulfo-butanoyl)amino]-2-hydroxy-propyl]amino]-4-oxo-2-sulfo-butanoic acid CAS Name: 4-[dodecyl-[3-[dodecyl-(4-hydroxy-1,4-dioxo-3-sulfobutyl)amino]-2-hydroxypropyl]amino]-4-oxo-2-sulfobutanoic acid IUPAC Name: 4-[dodecyl-[3-[dodecyl-(4-hydroxy-4-oxo-3-sulfobutanoyl)amino]-2-hydroxypropyl]amino]-4-oxo-2-sulfobutanoic acid Traditional Name: 4-[[2-hydroxy-3-[(4-hydroxy-4-keto-3-sulfo-butanoyl)-lauryl-amino]propyl]-lauryl-amino]-4-keto-2-sulfo-butyric acid Formula: C35H66N2O13S2 MolecularWeight: 787.03414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CC(CN(CCCCCCCCCCCC)C(=O)CC(C(=O)O)S(=O)(=O)O)O)C(=O)CC(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCN(CC(CN(CCCCCCCCCCCC)C(=O)CC(C(=O)O)S(=O)(=O)O)O)C(=O)CC(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C35H66N2O13S2/c1-3-5-7-9-11-13-15-17-19-21-23-36(32(39)25-30(34(41)42)51(45,46)47)27-29(38)28-37(33(40)26-31(35(43)44)52(48,49)50)24-22-20-18-16-14-12-10-8-6-4-2/h29-31,38H,3-28H2,1-2H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)