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

Systemtic Name: 21,24-dihydroporphyrin-2,3,7,8,12,13,17-heptacarboxylate Openeye Name: 21,24-dihydroporphyrin-2,3,7,8,12,13,17-heptacarboxylate CAS Name: 21,24-dihydroporphyrin-2,3,7,8,12,13,17-heptacarboxylate IUPAC Name: 21,24-dihydroporphyrin-2,3,7,8,12,13,17-heptacarboxylate Traditional Name: 21,24-dihydroporphine-2,3,7,8,12,13,17-heptacarboxylate Formula: C27H7N4O14-7 MolecularWeight: 611.36288

Click to see the large picture

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)/p-7