[3-(3-methyl-2-nitro-phenoxy)phenyl] butane-1-sulfonate

Systemtic Name: [3-(3-methyl-2-nitro-phenoxy)phenyl] butane-1-sulfonate Openeye Name: [3-(3-methyl-2-nitro-phenoxy)phenyl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [3-(3-methyl-2-nitrophenoxy)phenyl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [3-(3-methyl-2-nitro-phenoxy)phenyl] ester Formula: C17H19NO6S MolecularWeight: 365.40086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC=CC(=C1)OC2=CC=CC(=C2[N+](=O)[O-])C

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC=CC(=C1)OC2=CC=CC(=C2[N+](=O)[O-])C

InChI

InChI=1S/C17H19NO6S/c1-3-4-11-25(21,22)24-15-9-6-8-14(12-15)23-16-10-5-7-13(2)17(16)18(19)20/h5-10,12H,3-4,11H2,1-2H3