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

Systemtic Name: [2-(11-sulfanylundecanoylamino)-3-sulfooxy-propyl] hydrogen sulfate Openeye Name: [2-(11-sulfanylundecanoylamino)-3-sulfooxy-propyl] hydrogen sulfate CAS Name: sulfuric acid [2-[(11-mercapto-1-oxoundecyl)amino]-3-sulfooxypropyl] ester IUPAC Name: [2-(11-sulfanylundecanoylamino)-3-sulfooxypropyl] hydrogen sulfate Traditional Name: sulfuric acid [2-(11-mercaptoundecanoylamino)-3-sulfoxy-propyl] ester Formula: C14H29NO9S3 MolecularWeight: 451.57636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H29NO9S3/c16-14(9-7-5-3-1-2-4-6-8-10-25)15-13(11-23-26(17,18)19)12-24-27(20,21)22/h13,25H,1-12H2,(H,15,16)(H,17,18,19)(H,20,21,22)