nickel(2+); (E)-3-(2,3,7,8,10,12,13,15-octaethyl-21,24-dihydroporphyrin-5-yl)prop-2-enal

Systemtic Name: nickel(2+); (E)-3-(2,3,7,8,10,12,13,15-octaethyl-21,24-dihydroporphyrin-5-yl)prop-2-enal Openeye Name: nickelous (E)-3-(2,3,7,8,10,12,13,15-octaethyl-21,24-dihydroporphyrin-5-yl)prop-2-enal CAS Name: nickel(2+); (E)-3-(2,3,7,8,10,12,13,15-octaethyl-21,24-dihydroporphyrin-5-yl)-2-propenal IUPAC Name: nickel(2+); (E)-3-(2,3,7,8,10,12,13,15-octaethyl-21,24-dihydroporphyrin-5-yl)prop-2-enal Traditional Name: nickelous (E)-3-(2,3,7,8,10,12,13,15-octaethyl-21,24-dihydroporphin-5-yl)acrolein Formula: C39H48N4NiO+2 MolecularWeight: 647.51802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=CC(=CC3=C(C(=C(N3)C(=C4C(=C(C(=N4)C(=C5C(=C(C1=N5)CC)CC)CC)CC)CC)C=CC=O)CC)CC)N2.[Ni+2]

Isomeric SMILES

CCC1=C2C=CC(=CC3=C(C(=C(N3)C(=C4C(=C(C(=N4)C(=C5C(=C(C1=N5)CC)CC)CC)CC)CC)/C=C/C=O)CC)CC)N2.[Ni+2]

InChI

InChI=1S/C39H48N4O.Ni/c1-9-24-25(10-2)38-32(18-17-21-44)39-29(14-6)28(13-5)37(43-39)31(16-8)36-27(12-4)26(11-3)35(42-36)30(15-7)33-20-19-23(40-33)22-34(24)41-38;/h17-22,40-41H,9-16H2,1-8H3;/q;+2/b18-17+,23-22?,33-30?,34-22?,35-30?,36-31?,37-31?,38-32?,39-32?;