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3-phenyl-22,23-dihydroporphyrin-2-sulfonic acid

3-phenyl-22,23-dihydroporphyrin-2-sulfonic acid

Systemtic Name:3-phenyl-22,23-dihydroporphyrin-2-sulfonic acid
Openeye Name:3-phenyl-22,23-dihydroporphyrin-2-sulfonic acid
CAS Name:3-phenyl-22,23-dihydroporphyrin-2-sulfonic acid
IUPAC Name:3-phenyl-22,23-dihydroporphyrin-2-sulfonic acid
Traditional Name:3-phenyl-22,23-dihydroporphine-2-sulfonic acid
Formula: C26H18N4O3S
MolecularWeight: 466.51112
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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)S(=O)(=O)O


Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=NC2=CC4=CC=C(N4)C=C5C=CC(=CC6=NC(=C3)C=C6)N5)S(=O)(=O)O


InChI

InChI=1S/C26H18N4O3S/c31-34(32,33)26-24-15-22-11-9-20(29-22)13-18-7-6-17(27-18)12-19-8-10-21(28-19)14-23(30-24)25(26)16-4-2-1-3-5-16/h1-15,27-28H,(H,31,32,33)


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