benzene-1,3-dicarboxylic acid; 4-(4-hydroxyphenyl)phenol; 4-oxidanylbenzoic acid

Systemtic Name: benzene-1,3-dicarboxylic acid; 4-(4-hydroxyphenyl)phenol; 4-oxidanylbenzoic acid Openeye Name: 4-hydroxybenzoic acid; 4-(4-hydroxyphenyl)phenol; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; 4-hydroxybenzoic acid; 4-(4-hydroxyphenyl)phenol IUPAC Name: benzene-1,3-dicarboxylic acid; 4-hydroxybenzoic acid; 4-(4-hydroxyphenyl)phenol Traditional Name: 4-hydroxybenzoic acid; 4-(4-hydroxyphenyl)phenol; isophthalic acid Formula: C27H22O9 MolecularWeight: 490.45818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1C2=CC=C(C=C2)O)O.C1=CC(=CC=C1C(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1C2=CC=C(C=C2)O)O.C1=CC(=CC=C1C(=O)O)O

InChI

InChI=1S/C12H10O2.C8H6O4.C7H6O3/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;9-7(10)5-2-1-3-6(4-5)8(11)12;8-6-3-1-5(2-4-6)7(9)10/h1-8,13-14H;1-4H,(H,9,10)(H,11,12);1-4,8H,(H,9,10)