4-oxidanylbenzoic acid; phenol; 2-phenylbenzoate; 4-phenylphthalic acid

Systemtic Name: 4-oxidanylbenzoic acid; phenol; 2-phenylbenzoate; 4-phenylphthalic acid Openeye Name: 4-hydroxybenzoic acid; phenol; 2-phenylbenzoate; 4-phenylphthalic acid CAS Name: 4-hydroxybenzoic acid; phenol; 2-phenylbenzoate; 4-phenylphthalic acid IUPAC Name: 4-hydroxybenzoic acid; phenol; 2-phenylbenzoate; 4-phenylphthalic acid Traditional Name: 4-hydroxybenzoic acid; phenol; 2-phenylbenzoate; 4-phenylphthalic acid Formula: C40H31O10- MolecularWeight: 671.66814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)O)C(=O)O.C1=CC=C(C=C1)C2=CC=CC=C2C(=O)[O-].C1=CC=C(C=C1)O.C1=CC(=CC=C1C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)O)C(=O)O.C1=CC=C(C=C1)C2=CC=CC=C2C(=O)[O-].C1=CC=C(C=C1)O.C1=CC(=CC=C1C(=O)O)O

InChI

InChI=1S/C14H10O4.C13H10O2.C7H6O3.C6H6O/c15-13(16)11-7-6-10(8-12(11)14(17)18)9-4-2-1-3-5-9;14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10;8-6-3-1-5(2-4-6)7(9)10;7-6-4-2-1-3-5-6/h1-8H,(H,15,16)(H,17,18);1-9H,(H,14,15);1-4,8H,(H,9,10);1-5,7H/p-1