4-[3,6-bis(4-aminophenyl)-5-(4-carboxyphenyl)pyrazin-2-yl]benzoic acid

Systemtic Name: 4-[3,6-bis(4-aminophenyl)-5-(4-carboxyphenyl)pyrazin-2-yl]benzoic acid Openeye Name: 4-[3,6-bis(4-aminophenyl)-5-(4-carboxyphenyl)pyrazin-2-yl]benzoic acid CAS Name: 4-[3,6-bis(4-aminophenyl)-5-(4-carboxyphenyl)-2-pyrazinyl]benzoic acid IUPAC Name: 4-[3,6-bis(4-aminophenyl)-5-(4-carboxyphenyl)pyrazin-2-yl]benzoic acid Traditional Name: 4-[3,6-bis(4-aminophenyl)-5-(4-carboxyphenyl)pyrazin-2-yl]benzoic acid Formula: C30H22N4O4 MolecularWeight: 502.52008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(N=C(C(=N2)C3=CC=C(C=C3)N)C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(N=C(C(=N2)C3=CC=C(C=C3)N)C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)N)C(=O)O

InChI

InChI=1S/C30H22N4O4/c31-23-13-9-19(10-14-23)27-25(17-1-5-21(6-2-17)29(35)36)33-28(20-11-15-24(32)16-12-20)26(34-27)18-3-7-22(8-4-18)30(37)38/h1-16H,31-32H2,(H,35,36)(H,37,38)