disodium 3-[8,13-bis(ethenyl)-3,7,12,17-tetramethyl-18-(3-oxidanidyl-3-oxidanylidene-propyl)-22,23-dihydroporphyrin-2-yl]propanoate

Systemtic Name: disodium 3-[8,13-bis(ethenyl)-3,7,12,17-tetramethyl-18-(3-oxidanidyl-3-oxidanylidene-propyl)-22,23-dihydroporphyrin-2-yl]propanoate Openeye Name: disodium 3-[3,7,12,17-tetramethyl-18-(3-oxido-3-oxo-propyl)-8,13-divinyl-22,23-dihydroporphyrin-2-yl]propanoate CAS Name: disodium 3-[8,13-bis(ethenyl)-3,7,12,17-tetramethyl-18-(3-oxido-3-oxopropyl)-22,23-dihydroporphyrin-2-yl]propanoate IUPAC Name: disodium 3-[8,13-bis(ethenyl)-3,7,12,17-tetramethyl-18-(3-oxido-3-oxopropyl)-22,23-dihydroporphyrin-2-yl]propanoate Traditional Name: disodium 3-[18-(3-keto-3-oxido-propyl)-3,7,12,17-tetramethyl-8,13-divinyl-22,23-dihydroporphin-2-yl]propionate Formula: C34H32N4Na2O4 MolecularWeight: 606.62182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)[O-])CCC(=O)[O-])C)C=C)C)C=C.[Na+].[Na+]

Isomeric SMILES

CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)[O-])CCC(=O)[O-])C)C=C)C)C=C.[Na+].[Na+]

InChI

InChI=1S/C34H34N4O4.2Na/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;;/h7-8,13-16,35-36H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42);;/q;2*+1/p-2