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

Systemtic Name: 3-[8,13-bis(iodanyl)-3,7,12,17-tetramethyl-18-(3-oxidanidyl-3-oxidanylidene-propyl)porphyrin-21,24-diid-2-yl]propanoate; hydron; tin(4+); dichloride Openeye Name: stannic; 3-[8,13-diiodo-3,7,12,17-tetramethyl-18-(3-oxido-3-oxo-propyl)porphyrin-21,24-diid-2-yl]propanoate; hydron; dichloride CAS Name: 3-[8,13-diiodo-3,7,12,17-tetramethyl-18-(3-oxido-3-oxopropyl)-2-porphyrin-21,24-diidyl]propanoate; hydron; tin(4+); dichloride IUPAC Name: 3-[8,13-diiodo-3,7,12,17-tetramethyl-18-(3-oxido-3-oxopropyl)porphyrin-21,24-diid-2-yl]propanoate; hydron; tin(4+); dichloride Traditional Name: stannic; 3-[8,13-diiodo-18-(3-keto-3-oxido-propyl)-3,7,12,17-tetramethyl-porphine-21,24-diid-2-yl]propionate; hydron; dichloride Formula: C30H26Cl2I2N4O4Sn MolecularWeight: 949.97678

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Descriptors Computed from Structure

Canonical SMILES:

[H+].[H+].CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)I)C)I)C)CCC(=O)[O-])CCC(=O)[O-].[Cl-].[Cl-].[Sn+4]

Isomeric SMILES

[H+].[H+].CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)I)C)I)C)CCC(=O)[O-])CCC(=O)[O-].[Cl-].[Cl-].[Sn+4]

InChI

InChI=1S/C30H28I2N4O4.2ClH.Sn/c1-13-17(5-7-27(37)38)23-12-24-18(6-8-28(39)40)14(2)20(34-24)10-25-30(32)16(4)22(36-25)11-26-29(31)15(3)21(35-26)9-19(13)33-23;;;/h9-12H,5-8H2,1-4H3,(H4,33,34,35,36,37,38,39,40);2*1H;/q;;;+4/p-4