2-[10,15,20-tris(3-carboxyfuran-2-yl)-21,24-dihydroporphyrin-5-yl]furan-3-carboxylic acid

Systemtic Name: 2-[10,15,20-tris(3-carboxyfuran-2-yl)-21,24-dihydroporphyrin-5-yl]furan-3-carboxylic acid Openeye Name: 2-[10,15,20-tris(3-carboxy-2-furyl)-21,24-dihydroporphyrin-5-yl]furan-3-carboxylic acid CAS Name: 2-[10,15,20-tris(3-carboxy-2-furanyl)-21,24-dihydroporphyrin-5-yl]-3-furancarboxylic acid IUPAC Name: 2-[10,15,20-tris(3-carboxyfuran-2-yl)-21,24-dihydroporphyrin-5-yl]furan-3-carboxylic acid Traditional Name: 2-[10,15,20-tris(3-carboxy-2-furyl)-21,24-dihydroporphin-5-yl]-3-furoic acid Formula: C40H22N4O12 MolecularWeight: 750.62228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C1N2)C6=C(C=CO6)C(=O)O)C7=C(C=CO7)C(=O)O)C8=C(C=CO8)C(=O)O)C9=C(C=CO9)C(=O)O

Isomeric SMILES

C1=CC2=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C1N2)C6=C(C=CO6)C(=O)O)C7=C(C=CO7)C(=O)O)C8=C(C=CO8)C(=O)O)C9=C(C=CO9)C(=O)O

InChI

InChI=1S/C40H22N4O12/c45-37(46)17-9-13-53-33(17)29-21-1-2-22(41-21)30(34-18(38(47)48)10-14-54-34)24-5-6-26(43-24)32(36-20(40(51)52)12-16-56-36)28-8-7-27(44-28)31(25-4-3-23(29)42-25)35-19(39(49)50)11-15-55-35/h1-16,41-42H,(H,45,46)(H,47,48)(H,49,50)(H,51,52)