6-(2-carboxy-6-carboxylato-phenyl)naphthalene-2-carboxylate; 6-[2,4-dicarboxy-3-(6-carboxylatonaphthalen-2-yl)phenyl]naphthalene-2-carboxylate

Systemtic Name: 6-(2-carboxy-6-carboxylato-phenyl)naphthalene-2-carboxylate; 6-[2,4-dicarboxy-3-(6-carboxylatonaphthalen-2-yl)phenyl]naphthalene-2-carboxylate Openeye Name: 6-(2-carboxy-6-carboxylato-phenyl)naphthalene-2-carboxylate; 6-[2,4-dicarboxy-3-(6-carboxylato-2-naphthyl)phenyl]naphthalene-2-carboxylate CAS Name: 6-(2-carboxy-6-carboxylatophenyl)-2-naphthalenecarboxylate; 6-[2,4-dicarboxy-3-(6-carboxylato-2-naphthalenyl)phenyl]-2-naphthalenecarboxylate IUPAC Name: 6-(2-carboxy-6-carboxylatophenyl)naphthalene-2-carboxylate; 6-[2,4-dicarboxy-3-(6-carboxylatonaphthalen-2-yl)phenyl]naphthalene-2-carboxylate Traditional Name: 6-(2-carboxy-6-carboxylato-phenyl)-2-naphthoate; 6-[2,4-dicarboxy-3-(6-carboxylato-2-naphthyl)phenyl]-2-naphthoate Formula: C49H26O14-4 MolecularWeight: 838.72234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C(=O)O)C2=CC3=C(C=C2)C=C(C=C3)C(=O)[O-])C(=O)[O-].C1=CC2=C(C=CC(=C2)C(=O)[O-])C=C1C3=C(C(=C(C=C3)C(=O)O)C4=CC5=C(C=C4)C=C(C=C5)C(=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)C(=O)O)C2=CC3=C(C=C2)C=C(C=C3)C(=O)[O-])C(=O)[O-].C1=CC2=C(C=CC(=C2)C(=O)[O-])C=C1C3=C(C(=C(C=C3)C(=O)O)C4=CC5=C(C=C4)C=C(C=C5)C(=O)[O-])C(=O)O

InChI

InChI=1S/C30H18O8.C19H12O6/c31-27(32)21-7-3-15-11-19(5-1-17(15)13-21)23-9-10-24(29(35)36)25(26(23)30(37)38)20-6-2-18-14-22(28(33)34)8-4-16(18)12-20;20-17(21)13-7-5-10-8-12(6-4-11(10)9-13)16-14(18(22)23)2-1-3-15(16)19(24)25/h1-14H,(H,31,32)(H,33,34)(H,35,36)(H,37,38);1-9H,(H,20,21)(H,22,23)(H,24,25)/p-4