[2-[(4-nitrophenyl)carbamoyl]phenyl] octane-1-sulfonate

Systemtic Name: [2-[(4-nitrophenyl)carbamoyl]phenyl] octane-1-sulfonate Openeye Name: [2-[(4-nitrophenyl)carbamoyl]phenyl] octane-1-sulfonate CAS Name: 1-octanesulfonic acid IUPAC Name: [2-[(4-nitrophenyl)carbamoyl]phenyl] octane-1-sulfonate Traditional Name: octane-1-sulfonic acid [2-[(4-nitrophenyl)carbamoyl]phenyl] ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)OC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCS(=O)(=O)OC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O6S/c1-2-3-4-5-6-9-16-30(27,28)29-20-11-8-7-10-19(20)21(24)22-17-12-14-18(15-13-17)23(25)26/h7-8,10-15H,2-6,9,16H2,1H3,(H,22,24)