3,3-bis(3-methyl-4-oxidanyl-phenyl)-2-benzofuran-1-one; phosphoric acid

Systemtic Name: 3,3-bis(3-methyl-4-oxidanyl-phenyl)-2-benzofuran-1-one; phosphoric acid Openeye Name: 3,3-bis(4-hydroxy-3-methyl-phenyl)isobenzofuran-1-one; phosphoric acid CAS Name: 3,3-bis(4-hydroxy-3-methylphenyl)-1-isobenzofuranone; phosphoric acid IUPAC Name: 3,3-bis(4-hydroxy-3-methylphenyl)-2-benzofuran-1-one; phosphoric acid Traditional Name: o-cresolphthalein; phosphoric acid Formula: C22H21O8P MolecularWeight: 444.371101

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4)O)C)O.OP(=O)(O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4)O)C)O.OP(=O)(O)O

InChI

InChI=1S/C22H18O4.H3O4P/c1-13-11-15(7-9-19(13)23)22(16-8-10-20(24)14(2)12-16)18-6-4-3-5-17(18)21(25)26-22;1-5(2,3)4/h3-12,23-24H,1-2H3;(H3,1,2,3,4)