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Reference substances

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IUPAC name:
4-(2-((2E,8E)-N-(2-((3-carboxy-2-sulfopropanoyl)oxy)ethyl)octadeca-2,8-dienamido)ethoxy)-4-oxo-2-sulfobutanoic acid

Inventory

Synonyms

Molecular and structural information

Molecular formula:
C30H49NO15S2
Molecular weight:
727.838
SMILES notation:
OC(=O)CC(C(=O)OCCN(CCOC(=O)CC(C(=O)O)S(=O)(=O)O)C(=O)\C=C\CCCC\C=C\CCCCCCCCC)S(=O)(=O)O
InChl:
InChI=1S/C30H49NO15S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)31(18-20-45-28(35)23-24(29(36)37)47(39,40)41)19-21-46-30(38)25(22-27(33)34)48(42,43)44/h10-11,16-17,24-25H,2-9,12-15,18-23H2,1H3,(H,33,34)(H,36,37)(H,39,40,41)(H,42,43,44)/b11-10+,17-16+
Structural formula:
Chemical structure

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