3,7,8,12,13,17-hexamethyl-21,24-dihydroporphyrin-2,18-dicarboxylic acid

Systemtic Name: 3,7,8,12,13,17-hexamethyl-21,24-dihydroporphyrin-2,18-dicarboxylic acid Openeye Name: 3,7,8,12,13,17-hexamethyl-21,24-dihydroporphyrin-2,18-dicarboxylic acid CAS Name: 3,7,8,12,13,17-hexamethyl-21,24-dihydroporphyrin-2,18-dicarboxylic acid IUPAC Name: 3,7,8,12,13,17-hexamethyl-21,24-dihydroporphyrin-2,18-dicarboxylic acid Traditional Name: 3,7,8,12,13,17-hexamethyl-21,24-dihydroporphine-2,18-dicarboxylic acid Formula: C28H26N4O4 MolecularWeight: 482.53044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC1=CC3=C(C(=C(N3)C=C4C(=C(C(=CC5=NC(=C2)C(=C5C)C)N4)C)C(=O)O)C(=O)O)C)C

Isomeric SMILES

CC1=C(C2=NC1=CC3=C(C(=C(N3)C=C4C(=C(C(=CC5=NC(=C2)C(=C5C)C)N4)C)C(=O)O)C(=O)O)C)C

InChI

InChI=1S/C28H26N4O4/c1-11-13(3)19-8-21-15(5)25(27(33)34)23(31-21)10-24-26(28(35)36)16(6)22(32-24)9-20-14(4)12(2)18(30-20)7-17(11)29-19/h7-10,31-32H,1-6H3,(H,33,34)(H,35,36)