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

Systemtic Name: 5-(21,22-dihydroporphyrin-2-yl)benzene-1,2,3,4-tetrasulfonic acid Openeye Name: 5-(21,22-dihydroporphyrin-2-yl)benzene-1,2,3,4-tetrasulfonic acid CAS Name: 5-(21,22-dihydroporphyrin-2-yl)benzene-1,2,3,4-tetrasulfonic acid IUPAC Name: 5-(21,22-dihydroporphyrin-2-yl)benzene-1,2,3,4-tetrasulfonic acid Traditional Name: 5-(21,22-dihydroporphin-2-yl)benzene-1,2,3,4-tetrasulfonic acid Formula: C26H18N4O12S4 MolecularWeight: 706.70072

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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(=C6S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=CC3=CC(=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2)C6=CC(=C(C(=C6S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C26H18N4O12S4/c31-43(32,33)23-12-21(24(44(34,35)36)26(46(40,41)42)25(23)45(37,38)39)20-10-19-9-17-4-3-15(28-17)7-13-1-2-14(27-13)8-16-5-6-18(29-16)11-22(20)30-19/h1-12,28,30H,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)