2-diazonio-5-(3-methylphenoxy)sulfonyl-naphthalen-1-olate; ethanal

Systemtic Name: 2-diazonio-5-(3-methylphenoxy)sulfonyl-naphthalen-1-olate; ethanal Openeye Name: acetaldehyde; 2-diazonio-5-(3-methylphenoxy)sulfonyl-naphthalen-1-olate CAS Name: acetaldehyde; 2-diazonio-5-(3-methylphenoxy)sulfonyl-1-naphthalenolate IUPAC Name: acetaldehyde; 2-diazonio-5-(3-methylphenoxy)sulfonylnaphthalen-1-olate Traditional Name: acetaldehyde; 2-diazonio-5-(3-methylphenoxy)sulfonyl-naphthalen-1-olate Formula: C19H16N2O5S MolecularWeight: 384.40574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=O.CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC3=C2C=CC(=C3[O-])[N+]#N

Isomeric SMILES

CC=O.CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC3=C2C=CC(=C3[O-])[N+]#N

InChI

InChI=1S/C17H12N2O4S.C2H4O/c1-11-4-2-5-12(10-11)23-24(21,22)16-7-3-6-14-13(16)8-9-15(19-18)17(14)20;1-2-3/h2-10H,1H3;2H,1H3