[4-[(3-nitrophenyl)sulfonyloxycarbamoyloxy]butoxycarbonylamino] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(3-nitrophenyl)sulfonyloxycarbamoyloxy]butoxycarbonylamino] 3-nitrobenzenesulfonate Openeye Name: [4-[(3-nitrophenyl)sulfonyloxycarbamoyloxy]butoxycarbonylamino] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [[4-[[(3-nitrophenyl)sulfonyloxyamino]-oxomethoxy]butoxy-oxomethyl]amino] ester IUPAC Name: [4-[(3-nitrophenyl)sulfonyloxycarbamoyloxy]butoxycarbonylamino] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(3-nitrophenyl)sulfonyloxycarbamoyloxy]butoxycarbonylamino] ester Formula: C18H18N4O14S2 MolecularWeight: 578.48392

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H18N4O14S2/c23-17(19-35-37(29,30)15-7-3-5-13(11-15)21(25)26)33-9-1-2-10-34-18(24)20-36-38(31,32)16-8-4-6-14(12-16)22(27)28/h3-8,11-12H,1-2,9-10H2,(H,19,23)(H,20,24)