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4-(21,22-dihydroporphyrin-2-yl)benzoic acid

4-(21,22-dihydroporphyrin-2-yl)benzoic acid

Systemtic Name:4-(21,22-dihydroporphyrin-2-yl)benzoic acid
Openeye Name:4-(21,22-dihydroporphyrin-2-yl)benzoic acid
CAS Name:4-(21,22-dihydroporphyrin-2-yl)benzoic acid
IUPAC Name:4-(21,22-dihydroporphyrin-2-yl)benzoic acid
Traditional Name:4-(21,22-dihydroporphin-2-yl)benzoic acid
Formula: C27H18N4O2
MolecularWeight: 430.45742
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=C4C=CC(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C(=O)O


Isomeric SMILES

C1=CC(=CC=C1C2=C3C=C4C=CC(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C(=O)O


InChI

InChI=1S/C27H18N4O2/c32-27(33)17-3-1-16(2-4-17)25-14-24-13-22-8-7-20(29-22)11-18-5-6-19(28-18)12-21-9-10-23(30-21)15-26(25)31-24/h1-15,29,31H,(H,32,33)


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