[2-(11-sulfanylundecanoylamino)-3-sulfooxy-2-(sulfooxymethyl)propyl] hydrogen sulfate

Systemtic Name: [2-(11-sulfanylundecanoylamino)-3-sulfooxy-2-(sulfooxymethyl)propyl] hydrogen sulfate Openeye Name: [2-(11-sulfanylundecanoylamino)-3-sulfooxy-2-(sulfooxymethyl)propyl] hydrogen sulfate CAS Name: sulfuric acid [2-[(11-mercapto-1-oxoundecyl)amino]-3-sulfooxy-2-(sulfooxymethyl)propyl] ester IUPAC Name: [2-(11-sulfanylundecanoylamino)-3-sulfooxy-2-(sulfooxymethyl)propyl] hydrogen sulfate Traditional Name: sulfuric acid [2-(11-mercaptoundecanoylamino)-3-sulfoxy-2-(sulfoxymethyl)propyl] ester Formula: C15H31NO13S4 MolecularWeight: 561.66554

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCS)CCCCC(=O)NC(COS(=O)(=O)O)(COS(=O)(=O)O)COS(=O)(=O)O

Isomeric SMILES

C(CCCCCS)CCCCC(=O)NC(COS(=O)(=O)O)(COS(=O)(=O)O)COS(=O)(=O)O

InChI

InChI=1S/C15H31NO13S4/c17-14(9-7-5-3-1-2-4-6-8-10-30)16-15(11-27-31(18,19)20,12-28-32(21,22)23)13-29-33(24,25)26/h30H,1-13H2,(H,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)