[6-[(3-nitrophenyl)sulfonyloxycarbamoyloxy]hexoxycarbonylamino] 3-nitrobenzenesulfonate

Systemtic Name: [6-[(3-nitrophenyl)sulfonyloxycarbamoyloxy]hexoxycarbonylamino] 3-nitrobenzenesulfonate Openeye Name: [6-[(3-nitrophenyl)sulfonyloxycarbamoyloxy]hexoxycarbonylamino] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [[6-[[(3-nitrophenyl)sulfonyloxyamino]-oxomethoxy]hexoxy-oxomethyl]amino] ester IUPAC Name: [6-[(3-nitrophenyl)sulfonyloxycarbamoyloxy]hexoxycarbonylamino] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [6-[(3-nitrophenyl)sulfonyloxycarbamoyloxy]hexoxycarbonylamino] ester Formula: C20H22N4O14S2 MolecularWeight: 606.53708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)ONC(=O)OCCCCCCOC(=O)NOS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)ONC(=O)OCCCCCCOC(=O)NOS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O14S2/c25-19(21-37-39(31,32)17-9-5-7-15(13-17)23(27)28)35-11-3-1-2-4-12-36-20(26)22-38-40(33,34)18-10-6-8-16(14-18)24(29)30/h5-10,13-14H,1-4,11-12H2,(H,21,25)(H,22,26)