4-[bis(4-hydroxyphenyl)methyl]phenol; 2-diazonio-5-sulfo-naphthalen-1-olate

Systemtic Name: 4-[bis(4-hydroxyphenyl)methyl]phenol; 2-diazonio-5-sulfo-naphthalen-1-olate Openeye Name: 4-[bis(4-hydroxyphenyl)methyl]phenol; 2-diazonio-5-sulfo-naphthalen-1-olate CAS Name: 4-[bis(4-hydroxyphenyl)methyl]phenol; 2-diazonio-5-sulfo-1-naphthalenolate IUPAC Name: 4-[bis(4-hydroxyphenyl)methyl]phenol; 2-diazonio-5-sulfonaphthalen-1-olate Traditional Name: 4-[bis(4-hydroxyphenyl)methyl]phenol; 2-diazonio-5-sulfo-naphthalen-1-olate Formula: C29H22N2O7S MolecularWeight: 542.55918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2[O-])[N+]#N)C(=C1)S(=O)(=O)O.C1=CC(=CC=C1C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2[O-])[N+]#N)C(=C1)S(=O)(=O)O.C1=CC(=CC=C1C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)O

InChI

InChI=1S/C19H16O3.C10H6N2O4S/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;11-12-8-5-4-6-7(10(8)13)2-1-3-9(6)17(14,15)16/h1-12,19-22H;1-5H,(H-,13,14,15,16)