2-hydroxyethyl-[(E)-2-methyl-1-oxidanyl-1,3-bis(oxidanylidene)icos-11-en-2-yl]azanium; methyl sulfate

Systemtic Name: 2-hydroxyethyl-[(E)-2-methyl-1-oxidanyl-1,3-bis(oxidanylidene)icos-11-en-2-yl]azanium; methyl sulfate Openeye Name: [(E)-1-carboxy-1-methyl-2-oxo-nonadec-10-enyl]-(2-hydroxyethyl)ammonium; methyl sulfate CAS Name: 2-hydroxyethyl-[(E)-1-hydroxy-2-methyl-1,3-dioxoeicos-11-en-2-yl]ammonium; methyl sulfate IUPAC Name: 2-hydroxyethyl-[(E)-1-hydroxy-2-methyl-1,3-dioxoicos-11-en-2-yl]azanium; methyl sulfate Traditional Name: [(E)-1-carboxy-2-keto-1-methyl-nonadec-10-enyl]-(2-hydroxyethyl)ammonium; methyl sulfate Formula: C24H47NO8S MolecularWeight: 509.69688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C(C)(C(=O)O)[NH2+]CCO.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C(C)(C(=O)O)[NH2+]CCO.COS(=O)(=O)[O-]

InChI

InChI=1S/C23H43NO4.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(26)23(2,22(27)28)24-19-20-25;1-5-6(2,3)4/h10-11,24-25H,3-9,12-20H2,1-2H3,(H,27,28);1H3,(H,2,3,4)/b11-10+;