3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one thiocyanate

Systemtic Name: 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one thiocyanate Openeye Name: 3,3-bis(4-hydroxyphenyl)isobenzofuran-1-one thiocyanate CAS Name: 3,3-bis(4-hydroxyphenyl)-1-isobenzofuranone thiocyanate IUPAC Name: 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one thiocyanate Traditional Name: phenolphthalein thiocyanate Formula: C21H14NO4S- MolecularWeight: 376.40516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O.C(#N)[S-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O.C(#N)[S-]

InChI

InChI=1S/C20H14O4.CHNS/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20;2-1-3/h1-12,21-22H;3H/p-1