(7-methoxynaphthalen-2-yl) 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: (7-methoxynaphthalen-2-yl) 4-methyl-3-nitro-benzenesulfonate Openeye Name: (7-methoxy-2-naphthyl) 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid (7-methoxy-2-naphthalenyl) ester IUPAC Name: (7-methoxynaphthalen-2-yl) 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid (7-methoxy-2-naphthyl) ester Formula: C18H15NO6S MolecularWeight: 373.3798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC3=C(C=CC(=C3)OC)C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC3=C(C=CC(=C3)OC)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H15NO6S/c1-12-3-8-17(11-18(12)19(20)21)26(22,23)25-16-7-5-13-4-6-15(24-2)9-14(13)10-16/h3-11H,1-2H3