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2-hexadecylicosanoic acid; methylsulfinylmethane

2-hexadecylicosanoic acid; methylsulfinylmethane

Systemtic Name:2-hexadecylicosanoic acid; methylsulfinylmethane
Openeye Name:2-hexadecylicosanoic acid; methylsulfinylmethane
CAS Name:2-hexadecyleicosanoic acid; methylsulfinylmethane
IUPAC Name:2-hexadecylicosanoic acid; methylsulfinylmethane
Traditional Name:2-cetylarachidic acid; methylsulfinylmethane
Formula: C38H78O3S
MolecularWeight: 615.08912
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)O.CS(=O)C


Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)O.CS(=O)C


InChI

InChI=1S/C36H72O2.C2H6OS/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-35(36(37)38)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2;1-4(2)3/h35H,3-34H2,1-2H3,(H,37,38);1-2H3


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