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2-(pentacosa-10,12-diynoylamino)ethanesulfonic acid

2-(pentacosa-10,12-diynoylamino)ethanesulfonic acid

Systemtic Name:2-(pentacosa-10,12-diynoylamino)ethanesulfonic acid
Openeye Name:2-(pentacosa-10,12-diynoylamino)ethanesulfonic acid
CAS Name:2-(1-oxopentacosa-10,12-diynylamino)ethanesulfonic acid
IUPAC Name:2-(pentacosa-10,12-diynoylamino)ethanesulfonic acid
Traditional Name:2-(pentacosa-10,12-diynoylamino)ethanesulfonic acid
Formula: C27H47NO4S
MolecularWeight: 481.73138
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCS(=O)(=O)O


Isomeric SMILES

CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCS(=O)(=O)O


InChI

InChI=1S/C27H47NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(29)28-25-26-33(30,31)32/h2-12,17-26H2,1H3,(H,28,29)(H,30,31,32)


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