[(Z)-3-carboxy-2,15-bis(oxidanyl)-4-oxidanylidene-henicos-15-enyl]-trimethyl-azanium

Systemtic Name: [(Z)-3-carboxy-2,15-bis(oxidanyl)-4-oxidanylidene-henicos-15-enyl]-trimethyl-azanium Openeye Name: [(Z)-3-carboxy-2,15-dihydroxy-4-oxo-henicos-15-enyl]-trimethyl-ammonium CAS Name: [(Z)-3-carboxy-2,15-dihydroxy-4-oxoheneicos-15-enyl]-trimethylammonium IUPAC Name: [(Z)-3-carboxy-2,15-dihydroxy-4-oxohenicos-15-enyl]-trimethylazanium Traditional Name: [(Z)-3-carboxy-2,15-dihydroxy-4-keto-heneicos-15-enyl]-trimethyl-ammonium Formula: C25H48NO5+ MolecularWeight: 442.65232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=C(CCCCCCCCCCC(=O)C(C(C[N+](C)(C)C)O)C(=O)O)O

Isomeric SMILES

CCCCC/C=C(/CCCCCCCCCCC(=O)C(C(C[N+](C)(C)C)O)C(=O)O)\O

InChI

InChI=1S/C25H47NO5/c1-5-6-7-14-17-21(27)18-15-12-10-8-9-11-13-16-19-22(28)24(25(30)31)23(29)20-26(2,3)4/h17,23-24,29H,5-16,18-20H2,1-4H3,(H-,27,30,31)/p+1/b21-17-