nickel; 2,3,13,17,18-pentaethyl-7,8,12-trimethyl-porphyrin-21,23-diide-5-carbaldehyde

Systemtic Name: nickel; 2,3,13,17,18-pentaethyl-7,8,12-trimethyl-porphyrin-21,23-diide-5-carbaldehyde Openeye Name: nickel; 2,3,13,17,18-pentaethyl-7,8,12-trimethyl-porphyrin-21,23-diide-5-carbaldehyde CAS Name: nickel; 2,3,13,17,18-pentaethyl-7,8,12-trimethyl-5-porphyrin-21,23-diidecarboxaldehyde IUPAC Name: nickel; 2,3,13,17,18-pentaethyl-7,8,12-trimethylporphyrin-21,23-diide-5-carbaldehyde Traditional Name: nickel; 2,3,13,17,18-pentaethyl-7,8,12-trimethyl-porphine-21,23-diide-5-carbaldehyde Formula: C34H38N4NiO-2 MolecularWeight: 577.38512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=NC(=C(C4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)C=O)C(=C3C)C)C.[Ni]

Isomeric SMILES

CCC1=C(C2=CC3=NC(=C(C4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)C=O)C(=C3C)C)C.[Ni]

InChI

InChI=1S/C34H39N4O.Ni/c1-9-21-20(8)28-14-27-18(6)19(7)33(37-27)26(17-39)34-25(13-5)24(12-4)32(38-34)16-31-23(11-3)22(10-2)30(36-31)15-29(21)35-28;/h14-17H,9-13H2,1-8H3,(H-,35,36,37,38,39);/q-1;/p-1