6-methanoylnaphthalene-2-carboxylate; 6-methanoylnaphthalene-2-carboxylic acid; terephthalic acid

Systemtic Name: 6-methanoylnaphthalene-2-carboxylate; 6-methanoylnaphthalene-2-carboxylic acid; terephthalic acid Openeye Name: 6-formylnaphthalene-2-carboxylate; 6-formylnaphthalene-2-carboxylic acid; terephthalic acid CAS Name: 6-formyl-2-naphthalenecarboxylate; 6-formyl-2-naphthalenecarboxylic acid; terephthalic acid IUPAC Name: 6-formylnaphthalene-2-carboxylate; 6-formylnaphthalene-2-carboxylic acid; terephthalic acid Traditional Name: 6-formyl-2-naphthoate; 6-formyl-2-naphthoic acid; terephthalic acid Formula: C40H27O14- MolecularWeight: 731.63398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.C1=CC2=C(C=CC(=C2)C(=O)O)C=C1C=O.C1=CC2=C(C=CC(=C2)C(=O)[O-])C=C1C=O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.C1=CC2=C(C=CC(=C2)C(=O)O)C=C1C=O.C1=CC2=C(C=CC(=C2)C(=O)[O-])C=C1C=O

InChI

InChI=1S/2C12H8O3.2C8H6O4/c2*13-7-8-1-2-10-6-11(12(14)15)4-3-9(10)5-8;2*9-7(10)5-1-2-6(4-3-5)8(11)12/h2*1-7H,(H,14,15);2*1-4H,(H,9,10)(H,11,12)/p-1