azane; 5-[bis(3-carboxy-4-oxidanyl-phenyl)methyl]-3-[(3-carboxy-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid

Systemtic Name: azane; 5-[bis(3-carboxy-4-oxidanyl-phenyl)methyl]-3-[(3-carboxy-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid Openeye Name: ammonia; 5-[bis(3-carboxy-4-hydroxy-phenyl)methyl]-3-[(3-carboxy-4-hydroxy-phenyl)methyl]-2-hydroxy-benzoic acid CAS Name: ammonia; 5-[bis(3-carboxy-4-hydroxyphenyl)methyl]-3-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid IUPAC Name: azane; 5-[bis(3-carboxy-4-hydroxyphenyl)methyl]-3-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid Traditional Name: ammonia; 5-[bis(3-carboxy-4-hydroxy-phenyl)methyl]-3-(3-carboxy-4-hydroxy-benzyl)-2-hydroxy-benzoic acid Formula: C30H25NO12 MolecularWeight: 591.519

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2=C(C(=CC(=C2)C(C3=CC(=C(C=C3)O)C(=O)O)C4=CC(=C(C=C4)O)C(=O)O)C(=O)O)O)C(=O)O)O.N

Isomeric SMILES

C1=CC(=C(C=C1CC2=C(C(=CC(=C2)C(C3=CC(=C(C=C3)O)C(=O)O)C4=CC(=C(C=C4)O)C(=O)O)C(=O)O)O)C(=O)O)O.N

InChI

InChI=1S/C30H22O12.H3N/c31-22-4-1-13(8-18(22)27(35)36)7-17-9-16(12-21(26(17)34)30(41)42)25(14-2-5-23(32)19(10-14)28(37)38)15-3-6-24(33)20(11-15)29(39)40;/h1-6,8-12,25,31-34H,7H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42);1H3