3-[8,13,18-tris(2-carboxyethyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoic acid dihydrochloride

Systemtic Name: 3-[8,13,18-tris(2-carboxyethyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoic acid dihydrochloride Openeye Name: 3-[8,13,18-tris(2-carboxyethyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoic acid dihydrochloride CAS Name: 3-[8,13,18-tris(2-carboxyethyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoic acid dihydrochloride IUPAC Name: 3-[8,13,18-tris(2-carboxyethyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoic acid dihydrochloride Traditional Name: 3-[8,13,18-tris(2-carboxyethyl)-3,7,12,17-tetramethyl-21,24-dihydroporphin-2-yl]propionic acid dihydrochloride Formula: C36H40Cl2N4O8 MolecularWeight: 727.6308

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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)C)CCC(=O)O)C)CCC(=O)O)CCC(=O)O.Cl.Cl

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)C)CCC(=O)O)C)CCC(=O)O)CCC(=O)O.Cl.Cl

InChI

InChI=1S/C36H38N4O8.2ClH/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29;;/h13-16,38,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48);2*1H