[10-[(3-nitrophenyl)sulfonyloxycarbamoyloxy]dodecoxycarbonylamino] 3-nitrobenzenesulfonate

Systemtic Name: [10-[(3-nitrophenyl)sulfonyloxycarbamoyloxy]dodecoxycarbonylamino] 3-nitrobenzenesulfonate Openeye Name: [10-[(3-nitrophenyl)sulfonyloxycarbamoyloxy]dodecoxycarbonylamino] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [[10-[[(3-nitrophenyl)sulfonyloxyamino]-oxomethoxy]dodecoxy-oxomethyl]amino] ester IUPAC Name: [10-[(3-nitrophenyl)sulfonyloxycarbamoyloxy]dodecoxycarbonylamino] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [10-[(3-nitrophenyl)sulfonyloxycarbamoyloxy]dodecoxycarbonylamino] ester Formula: C26H34N4O14S2 MolecularWeight: 690.69656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCCCCCCOC(=O)NOS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-])OC(=O)NOS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(CCCCCCCCCOC(=O)NOS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-])OC(=O)NOS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C26H34N4O14S2/c1-2-22(42-26(32)28-44-46(39,40)24-16-11-13-21(19-24)30(35)36)14-8-6-4-3-5-7-9-17-41-25(31)27-43-45(37,38)23-15-10-12-20(18-23)29(33)34/h10-13,15-16,18-19,22H,2-9,14,17H2,1H3,(H,27,31)(H,28,32)