3-nitrooxypropyl 4-methylbenzenesulfonate

Systemtic Name: 3-nitrooxypropyl 4-methylbenzenesulfonate Openeye Name: 3-nitrooxypropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-nitrooxypropyl ester IUPAC Name: 3-nitrooxypropyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-nitrooxypropyl ester Formula: C10H13NO6S MolecularWeight: 275.27832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCO[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCO[N+](=O)[O-]

InChI

InChI=1S/C10H13NO6S/c1-9-3-5-10(6-4-9)18(14,15)17-8-2-7-16-11(12)13/h3-6H,2,7-8H2,1H3