3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one; 5-methyl-2-propan-2-yl-phenol

Systemtic Name: 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one; 5-methyl-2-propan-2-yl-phenol Openeye Name: 3,3-bis(4-hydroxyphenyl)isobenzofuran-1-one; 2-isopropyl-5-methyl-phenol CAS Name: 3,3-bis(4-hydroxyphenyl)-1-isobenzofuranone; 5-methyl-2-propan-2-ylphenol IUPAC Name: 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one; 5-methyl-2-propan-2-ylphenol Traditional Name: phenolphthalein; thymol Formula: C30H28O5 MolecularWeight: 468.54032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)O.C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)O.C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C20H14O4.C10H14O/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;1-7(2)9-5-4-8(3)6-10(9)11/h1-12,21-22H;4-7,11H,1-3H3