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

Systemtic Name: [(E,2S,3R)-2-azido-1-(4-methylphenyl)sulfonyloxy-octadec-4-en-3-yl] benzoate Openeye Name: [(E,1R)-1-[(1S)-1-azido-2-(p-tolylsulfonyloxy)ethyl]hexadec-2-enyl] benzoate CAS Name: benzoic acid [(E,2S,3R)-2-azido-1-(4-methylphenyl)sulfonyloxyoctadec-4-en-3-yl] ester IUPAC Name: [(E,2S,3R)-2-azido-1-(4-methylphenyl)sulfonyloxyoctadec-4-en-3-yl] benzoate Traditional Name: benzoic acid [(E,1R)-1-[(1S)-1-azido-2-tosyloxy-ethyl]hexadec-2-enyl] ester Formula: C32H45N3O5S MolecularWeight: 583.7818

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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-])OC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C32H45N3O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-31(40-32(36)28-19-16-15-17-20-28)30(34-35-33)26-39-41(37,38)29-24-22-27(2)23-25-29/h15-25,30-31H,3-14,26H2,1-2H3/b21-18+/t30-,31+/m0/s1