(3-methyl-3-octadecanoyl-4-oxidanylidene-henicosyl)oxidanium

Systemtic Name: (3-methyl-3-octadecanoyl-4-oxidanylidene-henicosyl)oxidanium Openeye Name: (3-methyl-3-octadecanoyl-4-oxo-henicosyl)oxonium CAS Name: [3-methyl-4-oxo-3-(1-oxooctadecyl)heneicosyl]oxonium IUPAC Name: (3-methyl-3-octadecanoyl-4-oxohenicosyl)oxidanium Traditional Name: (4-keto-3-methyl-3-stearoyl-heneicosyl)oxonium Formula: C40H79O3+ MolecularWeight: 608.05346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(C)(CC[OH2+])C(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C)(CC[OH2+])C(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C40H78O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38(42)40(3,36-37-41)39(43)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h41H,4-37H2,1-3H3/p+1