5-(21,22-dihydroporphyrin-2-yl)benzene-1,2,3,4-tetracarboxylic acid

Systemtic Name: 5-(21,22-dihydroporphyrin-2-yl)benzene-1,2,3,4-tetracarboxylic acid Openeye Name: 5-(21,22-dihydroporphyrin-2-yl)benzene-1,2,3,4-tetracarboxylic acid CAS Name: 5-(21,22-dihydroporphyrin-2-yl)benzene-1,2,3,4-tetracarboxylic acid IUPAC Name: 5-(21,22-dihydroporphyrin-2-yl)benzene-1,2,3,4-tetracarboxylic acid Traditional Name: 5-(21,22-dihydroporphin-2-yl)mellophanic acid Formula: C30H18N4O8 MolecularWeight: 562.48592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC3=CC(=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2)C6=CC(=C(C(=C6C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=CC3=CC(=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2)C6=CC(=C(C(=C6C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C30H18N4O8/c35-27(36)22-12-21(24(28(37)38)26(30(41)42)25(22)29(39)40)20-10-19-9-17-4-3-15(32-17)7-13-1-2-14(31-13)8-16-5-6-18(33-16)11-23(20)34-19/h1-12,32,34H,(H,35,36)(H,37,38)(H,39,40)(H,41,42)