3-[8,13-diethyl-3,7,12,17-tetramethyl-18-(3-oxidanidyl-3-oxidanylidene-propyl)porphyrin-21,24-diid-2-yl]propanoate; tin(4+); dihydrochloride

Systemtic Name: 3-[8,13-diethyl-3,7,12,17-tetramethyl-18-(3-oxidanidyl-3-oxidanylidene-propyl)porphyrin-21,24-diid-2-yl]propanoate; tin(4+); dihydrochloride Openeye Name: stannic 3-[8,13-diethyl-3,7,12,17-tetramethyl-18-(3-oxido-3-oxo-propyl)porphyrin-21,24-diid-2-yl]propanoate dihydrochloride CAS Name: 3-[8,13-diethyl-3,7,12,17-tetramethyl-18-(3-oxido-3-oxopropyl)-2-porphyrin-21,24-diidyl]propanoate; tin(4+); dihydrochloride IUPAC Name: 3-[8,13-diethyl-3,7,12,17-tetramethyl-18-(3-oxido-3-oxopropyl)porphyrin-21,24-diid-2-yl]propanoate; tin(4+); dihydrochloride Traditional Name: stannic 3-[8,13-diethyl-18-(3-keto-3-oxido-propyl)-3,7,12,17-tetramethyl-porphine-21,24-diid-2-yl]propionate dihydrochloride Formula: C34H36Cl2N4O4Sn MolecularWeight: 754.29004

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC1=CC3=C(C(=C([N-]3)C=C4C(=C(C(=CC5=NC(=C2)C(=C5C)CC)[N-]4)C)CCC(=O)[O-])CCC(=O)[O-])C)C.Cl.Cl.[Sn+4]

Isomeric SMILES

CCC1=C(C2=NC1=CC3=C(C(=C([N-]3)C=C4C(=C(C(=CC5=NC(=C2)C(=C5C)CC)[N-]4)C)CCC(=O)[O-])CCC(=O)[O-])C)C.Cl.Cl.[Sn+4]

InChI

InChI=1S/C34H38N4O4.2ClH.Sn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;;/h13-16H,7-12H2,1-6H3,(H4,35,36,37,38,39,40,41,42);2*1H;/q;;;+4/p-4