Butanedioic acid, sulfo-, 4-[2-[(2-hydroxyethyl)(1-oxo-9-octadecenyl)amino]ethyl] ester, disodium salt, (Z)-

85480-92-8

CAS Name

Butanedioic acid, sulfo-, 4-[2-[(2-hydroxyethyl)(1-oxo-9-octadecenyl)amino]ethyl] ester, disodium salt, (Z)-

Molecular Formula

C₂₆H₄₇NO₉S.2Na

Other Names and Identifiers

InChI

InChI=1/C26H47NO9S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)27(18-20-28)19-21-36-25(30)22-23(26(31)32)37(33,34)35;;/h9-10,23,28H,2-8,11-22H2,1H3,(H,31,32)(H,33,34,35);;/b10-9-;;

InChIKey

InChIKey=KQYGXASDJBYQKV-XXAVUKJNNA-N

SMILES

N(CCOC(CC(S(=O)(=O)O)C(O)=O)=O)(C(CCCCCCC/C=C\CCCCCCCC)=O)CCO.[Na]

Canonical SMILES

[Na].O=C(OCCN(C(=O)CCCCCCCC=CCCCCCCCC)CCO)CC(C(=O)O)S(=O)(=O)O

Other Names for this Substance