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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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