[(E)-2-azido-1-(4-methylphenyl)sulfonyloxy-3-oxidanyl-octadec-4-en-3-yl] benzoate

Systemtic Name: [(E)-2-azido-1-(4-methylphenyl)sulfonyloxy-3-oxidanyl-octadec-4-en-3-yl] benzoate Openeye Name: [(E)-1-[1-azido-2-(p-tolylsulfonyloxy)ethyl]-1-hydroxy-hexadec-2-enyl] benzoate CAS Name: benzoic acid [(E)-2-azido-3-hydroxy-1-(4-methylphenyl)sulfonyloxyoctadec-4-en-3-yl] ester IUPAC Name: [(E)-2-azido-3-hydroxy-1-(4-methylphenyl)sulfonyloxyoctadec-4-en-3-yl] benzoate Traditional Name: benzoic acid [(E)-1-(1-azido-2-tosyloxy-ethyl)-1-hydroxy-hexadec-2-enyl] ester Formula: C32H45N3O6S MolecularWeight: 599.7812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COS(=O)(=O)C1=CC=C(C=C1)C)N=[N+]=[N-])(O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(COS(=O)(=O)C1=CC=C(C=C1)C)N=[N+]=[N-])(O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C32H45N3O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-25-32(37,41-31(36)28-19-16-15-17-20-28)30(34-35-33)26-40-42(38,39)29-23-21-27(2)22-24-29/h15-25,30,37H,3-14,26H2,1-2H3/b25-18+