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2-(1-oxidanidyl-1-oxidanylidene-henicosan-2-yl)sulfanylhenicosanoate

Systemtic Name:	2-(1-oxidanidyl-1-oxidanylidene-henicosan-2-yl)sulfanylhenicosanoate
Openeye Name:	2-(1-carboxylatoicosylsulfanyl)henicosanoate
CAS Name:	2-[(1-oxido-1-oxoheneicosan-2-yl)thio]heneicosanoate
IUPAC Name:	2-(1-oxido-1-oxohenicosan-2-yl)sulfanylhenicosanoate
Traditional Name:	2-(1-carboxylatoeicosylthio)heneicosanoate
Formula:	C₄₂H₈₀O₄S-2
MolecularWeight:	681.1472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(C(=O)[O-])SC(CCCCCCCCCCCCCCCCCCC)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(C(=O)[O-])SC(CCCCCCCCCCCCCCCCCCC)C(=O)[O-]

InChI

InChI=1S/C42H82O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(41(43)44)47-40(42(45)46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-40H,3-38H2,1-2H3,(H,43,44)(H,45,46)/p-2

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