1-hydroxyethyl-[17-methyl-16,18-bis(oxidanylidene)tritriacontan-17-yl]azanium; methanesulfonate

Systemtic Name: 1-hydroxyethyl-[17-methyl-16,18-bis(oxidanylidene)tritriacontan-17-yl]azanium; methanesulfonate Openeye Name: (1-hexadecanoyl-1-methyl-2-oxo-heptadecyl)-(1-hydroxyethyl)ammonium; methanesulfonate CAS Name: 1-hydroxyethyl-(17-methyl-16,18-dioxotritriacontan-17-yl)ammonium; methanesulfonate IUPAC Name: 1-hydroxyethyl-(17-methyl-16,18-dioxotritriacontan-17-yl)azanium; methanesulfonate Traditional Name: (1-hexadecanoyl-2-keto-1-methyl-heptadecyl)-(1-hydroxyethyl)ammonium mesylate Formula: C37H75NO6S MolecularWeight: 662.0595

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C)(C(=O)CCCCCCCCCCCCCCC)[NH2+]C(C)O.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C)(C(=O)CCCCCCCCCCCCCCC)[NH2+]C(C)O.CS(=O)(=O)[O-]

InChI

InChI=1S/C36H71NO3.CH4O3S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34(39)36(4,37-33(3)38)35(40)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5(2,3)4/h33,37-38H,5-32H2,1-4H3;1H3,(H,2,3,4)