2-diazonio-5-sulfo-naphthalen-1-olate; methanal; phenol

Systemtic Name: 2-diazonio-5-sulfo-naphthalen-1-olate; methanal; phenol Openeye Name: 2-diazonio-5-sulfo-naphthalen-1-olate; formaldehyde; phenol CAS Name: 2-diazonio-5-sulfo-1-naphthalenolate; formaldehyde; phenol IUPAC Name: 2-diazonio-5-sulfonaphthalen-1-olate; formaldehyde; phenol Traditional Name: 2-diazonio-5-sulfo-naphthalen-1-olate; formaldehyde; phenol Formula: C17H14N2O6S MolecularWeight: 374.36786

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Descriptors Computed from Structure

Canonical SMILES:

C=O.C1=CC=C(C=C1)O.C1=CC2=C(C=CC(=C2[O-])[N+]#N)C(=C1)S(=O)(=O)O

Isomeric SMILES

C=O.C1=CC=C(C=C1)O.C1=CC2=C(C=CC(=C2[O-])[N+]#N)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C10H6N2O4S.C6H6O.CH2O/c11-12-8-5-4-6-7(10(8)13)2-1-3-9(6)17(14,15)16;7-6-4-2-1-3-5-6;1-2/h1-5H,(H-,13,14,15,16);1-5,7H;1H2