disodium (E)-7-oxidanyl-18-oxidanylidene-18-[2-[[(E)-12-oxidanyl-13-sulfonato-octadec-9-enoyl]amino]ethylamino]octadec-9-ene-6-sulfonate

Systemtic Name: disodium (E)-7-oxidanyl-18-oxidanylidene-18-[2-[[(E)-12-oxidanyl-13-sulfonato-octadec-9-enoyl]amino]ethylamino]octadec-9-ene-6-sulfonate Openeye Name: disodium (E)-7-hydroxy-18-[2-[[(E)-12-hydroxy-13-sulfonato-octadec-9-enoyl]amino]ethylamino]-18-oxo-octadec-9-ene-6-sulfonate CAS Name: disodium (E)-7-hydroxy-18-[2-[[(E)-12-hydroxy-1-oxo-13-sulfonatooctadec-9-enyl]amino]ethylamino]-18-oxo-9-octadecene-6-sulfonate IUPAC Name: disodium (E)-7-hydroxy-18-[2-[[(E)-12-hydroxy-13-sulfonatooctadec-9-enoyl]amino]ethylamino]-18-oxooctadec-9-ene-6-sulfonate Traditional Name: disodium (E)-7-hydroxy-18-[2-[[(E)-12-hydroxy-13-sulfonato-octadec-9-enoyl]amino]ethylamino]-18-keto-octadec-9-ene-6-sulfonate Formula: C38H70N2Na2O10S2 MolecularWeight: 825.07934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CC=CCCCCCCCC(=O)NCCNC(=O)CCCCCCCC=CCC(C(CCCCC)S(=O)(=O)[O-])O)O)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCC(S(=O)(=O)[O-])C(O)C/C=C/CCCCCCCC(=O)NCCNC(=O)CCCCCCC/C=C/CC(O)C(S(=O)(=O)[O-])CCCCC.[Na+].[Na+]

InChI

InChI=1S/C38H72N2O10S2.2Na/c1-3-5-19-27-35(51(45,46)47)33(41)25-21-15-11-7-9-13-17-23-29-37(43)39-31-32-40-38(44)30-24-18-14-10-8-12-16-22-26-34(42)36(52(48,49)50)28-20-6-4-2;;/h15-16,21-22,33-36,41-42H,3-14,17-20,23-32H2,1-2H3,(H,39,43)(H,40,44)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2/b21-15+,22-16+;;