21,24-dihydroporphyrin-2,3,7,8,12,13,17-heptacarboxylic acid

Systemtic Name: 21,24-dihydroporphyrin-2,3,7,8,12,13,17-heptacarboxylic acid Openeye Name: 21,24-dihydroporphyrin-2,3,7,8,12,13,17-heptacarboxylic acid CAS Name: 21,24-dihydroporphyrin-2,3,7,8,12,13,17-heptacarboxylic acid IUPAC Name: 21,24-dihydroporphyrin-2,3,7,8,12,13,17-heptacarboxylic acid Traditional Name: 21,24-dihydroporphine-2,3,7,8,12,13,17-heptacarboxylic acid Formula: C27H14N4O14 MolecularWeight: 618.41846

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C(=CC3=NC(=CC4=NC(=CC5=C(C(=C1N5)C(=O)O)C(=O)O)C(=C4C(=O)O)C(=O)O)C(=C3C(=O)O)C(=O)O)N2)C(=O)O

Isomeric SMILES

C1=C2C=C(C(=CC3=NC(=CC4=NC(=CC5=C(C(=C1N5)C(=O)O)C(=O)O)C(=C4C(=O)O)C(=O)O)C(=C3C(=O)O)C(=O)O)N2)C(=O)O

InChI

InChI=1S/C27H14N4O14/c32-21(33)7-1-6-2-9-15(22(34)35)17(24(38)39)11(29-9)4-13-19(26(42)43)20(27(44)45)14(31-13)5-12-18(25(40)41)16(23(36)37)10(30-12)3-8(7)28-6/h1-5,28-29H,(H,32,33)(H,34,35)(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45)