2-diazonio-5-(3-methylphenoxy)sulfonyl-naphthalen-1-olate; ethanal; 4-oxidanylbenzaldehyde

Systemtic Name: 2-diazonio-5-(3-methylphenoxy)sulfonyl-naphthalen-1-olate; ethanal; 4-oxidanylbenzaldehyde Openeye Name: acetaldehyde; 2-diazonio-5-(3-methylphenoxy)sulfonyl-naphthalen-1-olate; 4-hydroxybenzaldehyde CAS Name: acetaldehyde; 2-diazonio-5-(3-methylphenoxy)sulfonyl-1-naphthalenolate; 4-hydroxybenzaldehyde IUPAC Name: acetaldehyde; 2-diazonio-5-(3-methylphenoxy)sulfonylnaphthalen-1-olate; 4-hydroxybenzaldehyde Traditional Name: acetaldehyde; 2-diazonio-5-(3-methylphenoxy)sulfonyl-naphthalen-1-olate; 4-hydroxybenzaldehyde Formula: C26H22N2O7S MolecularWeight: 506.52708

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Descriptors Computed from Structure

Canonical SMILES:

CC=O.CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC3=C2C=CC(=C3[O-])[N+]#N.C1=CC(=CC=C1C=O)O

Isomeric SMILES

CC=O.CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC3=C2C=CC(=C3[O-])[N+]#N.C1=CC(=CC=C1C=O)O

InChI

InChI=1S/C17H12N2O4S.C7H6O2.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;8-5-6-1-3-7(9)4-2-6;1-2-3/h2-10H,1H3;1-5,9H;2H,1H3