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

Systemtic Name: 4-[[3-hexoxy-2-(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)oxy-propyl]-octyl-amino]-4-oxidanylidene-2-sulfo-butanoic acid Openeye Name: 4-[[3-hexoxy-2-(4-hydroxy-4-oxo-3-sulfo-butanoyl)oxy-propyl]-octyl-amino]-4-oxo-2-sulfo-butanoic acid CAS Name: 4-[[3-hexoxy-2-(4-hydroxy-1,4-dioxo-3-sulfobutoxy)propyl]-octylamino]-4-oxo-2-sulfobutanoic acid IUPAC Name: 4-[[3-hexoxy-2-(4-hydroxy-4-oxo-3-sulfobutanoyl)oxypropyl]-octylamino]-4-oxo-2-sulfobutanoic acid Traditional Name: 4-[[3-hexoxy-2-(4-hydroxy-4-keto-3-sulfo-butanoyl)oxy-propyl]-octyl-amino]-4-keto-2-sulfo-butyric acid Formula: C25H45NO14S2 MolecularWeight: 647.7531

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CC(COCCCCCC)OC(=O)CC(C(=O)O)S(=O)(=O)O)C(=O)CC(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCN(CC(COCCCCCC)OC(=O)CC(C(=O)O)S(=O)(=O)O)C(=O)CC(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C25H45NO14S2/c1-3-5-7-9-10-11-13-26(22(27)15-20(24(29)30)41(33,34)35)17-19(18-39-14-12-8-6-4-2)40-23(28)16-21(25(31)32)42(36,37)38/h19-21H,3-18H2,1-2H3,(H,29,30)(H,31,32)(H,33,34,35)(H,36,37,38)