[6-[2,3-bis[[(9E,12E)-octadeca-9,12-dienoyl]oxy]propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid; sodium

Systemtic Name: [6-[2,3-bis[[(9E,12E)-octadeca-9,12-dienoyl]oxy]propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid; sodium Openeye Name: [6-[2,3-bis[[(9E,12E)-octadeca-9,12-dienoyl]oxy]propoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methanesulfonic acid; sodium CAS Name: [6-[2,3-bis[(9E,12E)-1-oxooctadeca-9,12-dienoxy]propoxy]-3,4,5-trihydroxy-2-oxanyl]methanesulfonic acid; sodium IUPAC Name: [6-[2,3-bis[[(9E,12E)-octadeca-9,12-dienoyl]oxy]propoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid; sodium Traditional Name: [6-[2,3-bis[[(9E,12E)-octadeca-9,12-dienoyl]oxy]propoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methanesulfonic acid; sodium Formula: C45H78NaO12S MolecularWeight: 866.14839

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O)OC(=O)CCCCCCCC=CCC=CCCCCC.[Na]

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O)OC(=O)CCCCCCC/C=C/C/C=C/CCCCC.[Na]

InChI

InChI=1S/C45H78O12S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(46)54-35-38(36-55-45-44(50)43(49)42(48)39(57-45)37-58(51,52)53)56-41(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h11-14,17-20,38-39,42-45,48-50H,3-10,15-16,21-37H2,1-2H3,(H,51,52,53);/b13-11+,14-12+,19-17+,20-18+;