[3-carboxy-2-[(E)-3-carboxy-4-oxidanylidene-1-(trimethylazaniumyl)nonadec-12-en-2-yl]oxy-4-oxidanylidene-tridec-12-enyl]-trimethyl-azanium

Systemtic Name: [3-carboxy-2-[(E)-3-carboxy-4-oxidanylidene-1-(trimethylazaniumyl)nonadec-12-en-2-yl]oxy-4-oxidanylidene-tridec-12-enyl]-trimethyl-azanium Openeye Name: [(E)-3-carboxy-2-[2-carboxy-3-oxo-1-[(trimethylammonio)methyl]dodec-11-enoxy]-4-oxo-nonadec-12-enyl]-trimethyl-ammonium CAS Name: [3-carboxy-2-[(E)-3-carboxy-4-oxo-1-(trimethylammonio)nonadec-12-en-2-yl]oxy-4-oxotridec-12-enyl]-trimethylammonium IUPAC Name: [3-carboxy-2-[(E)-3-carboxy-4-oxo-1-(trimethylazaniumyl)nonadec-12-en-2-yl]oxy-4-oxotridec-12-enyl]-trimethylazanium Traditional Name: [(E)-3-carboxy-2-[2-carboxy-3-keto-1-[(trimethylammonio)methyl]dodec-11-enoxy]-4-keto-nonadec-12-enyl]-trimethyl-ammonium Formula: C40H74N2O7+2 MolecularWeight: 695.02476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCC(=O)C(C(C[N+](C)(C)C)OC(C[N+](C)(C)C)C(C(=O)CCCCCCCC=C)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCC/C=C/CCCCCCCC(=O)C(C(C[N+](C)(C)C)OC(C[N+](C)(C)C)C(C(=O)CCCCCCCC=C)C(=O)O)C(=O)O

InChI

InChI=1S/C40H72N2O7/c1-9-11-13-15-17-18-19-20-21-22-24-26-28-30-34(44)38(40(47)48)36(32-42(6,7)8)49-35(31-41(3,4)5)37(39(45)46)33(43)29-27-25-23-16-14-12-10-2/h10,18-19,35-38H,2,9,11-17,20-32H2,1,3-8H3/p+2/b19-18+