zinc methyl 12-ethenyl-7-ethyl-20-(2-methoxy-2-oxidanylidene-ethyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-17,18-dihydroporphyrin-22,24-diide-2-carboxylate

Systemtic Name: zinc methyl 12-ethenyl-7-ethyl-20-(2-methoxy-2-oxidanylidene-ethyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-17,18-dihydroporphyrin-22,24-diide-2-carboxylate Openeye Name: zinc methyl 7-ethyl-20-(2-methoxy-2-oxo-ethyl)-18-(3-methoxy-3-oxo-propyl)-3,8,13,17-tetramethyl-12-vinyl-17,18-dihydroporphyrin-22,24-diide-2-carboxylate CAS Name: zinc 12-ethenyl-7-ethyl-20-(2-methoxy-2-oxoethyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-17,18-dihydroporphyrin-22,24-diide-2-carboxylic acid methyl ester IUPAC Name: zinc methyl 12-ethenyl-7-ethyl-20-(2-methoxy-2-oxoethyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-17,18-dihydroporphyrin-22,24-diide-2-carboxylate Traditional Name: zinc 7-ethyl-20-(2-keto-2-methoxy-ethyl)-18-(3-keto-3-methoxy-propyl)-3,8,13,17-tetramethyl-12-vinyl-17,18-dihydroporphine-22,24-diide-2-carboxylic acid methyl ester Formula: C37H40N4O6Zn MolecularWeight: 702.1457

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C3C(=C(C(=N3)C(=C4C(C(C(=CC5=NC(=CC(=C1C)[N-]2)C(=C5C)C=C)[N-]4)C)CCC(=O)OC)CC(=O)OC)C(=O)OC)C.[Zn+2]

Isomeric SMILES

CCC1=C2C=C3C(=C(C(=N3)C(=C4C(C(C(=CC5=NC(=CC(=C1C)[N-]2)C(=C5C)C=C)[N-]4)C)CCC(=O)OC)CC(=O)OC)C(=O)OC)C.[Zn+2]

InChI

InChI=1S/C37H41N4O6.Zn/c1-10-22-18(3)26-15-28-20(5)24(12-13-32(42)45-7)35(40-28)25(14-33(43)46-8)36-34(37(44)47-9)21(6)29(41-36)17-31-23(11-2)19(4)27(39-31)16-30(22)38-26;/h10,15-17,20,24H,1,11-14H2,2-9H3,(H-,38,39,40,41,44);/q-1;+2/p-1