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sodium 3-phenyl-22,23-dihydroporphyrin-2-carboxylate

sodium 3-phenyl-22,23-dihydroporphyrin-2-carboxylate

Systemtic Name:sodium 3-phenyl-22,23-dihydroporphyrin-2-carboxylate
Openeye Name:sodium 3-phenyl-22,23-dihydroporphyrin-2-carboxylate
CAS Name:sodium 3-phenyl-22,23-dihydroporphyrin-2-carboxylate
IUPAC Name:sodium 3-phenyl-22,23-dihydroporphyrin-2-carboxylate
Traditional Name:sodium 3-phenyl-22,23-dihydroporphine-2-carboxylate
Formula: C27H17N4NaO2
MolecularWeight: 452.43925
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=NC2=CC4=CC=C(N4)C=C5C=CC(=CC6=NC(=C3)C=C6)N5)C(=O)[O-].[Na+]


Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=NC2=CC4=CC=C(N4)C=C5C=CC(=CC6=NC(=C3)C=C6)N5)C(=O)[O-].[Na+]


InChI

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


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