[4-(dipropylamino)-1,1-bis(oxidanylidene)thiolan-3-yl] 3-nitrobenzoate

Systemtic Name: [4-(dipropylamino)-1,1-bis(oxidanylidene)thiolan-3-yl] 3-nitrobenzoate Openeye Name: [4-(dipropylamino)-1,1-dioxo-thiolan-3-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-(dipropylamino)-1,1-dioxo-3-thiolanyl] ester IUPAC Name: [4-(dipropylamino)-1,1-dioxothiolan-3-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-(dipropylamino)-1,1-diketo-thiolan-3-yl] ester Formula: C17H24N2O6S MolecularWeight: 384.44726

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1CS(=O)(=O)CC1OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCN(CCC)C1CS(=O)(=O)CC1OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H24N2O6S/c1-3-8-18(9-4-2)15-11-26(23,24)12-16(15)25-17(20)13-6-5-7-14(10-13)19(21)22/h5-7,10,15-16H,3-4,8-9,11-12H2,1-2H3