chromium(2+); 2,17,18,20-tetrabutyl-21,22-dihydroporphyrin

Systemtic Name: chromium(2+); 2,17,18,20-tetrabutyl-21,22-dihydroporphyrin Openeye Name: chromous 2,17,18,20-tetrabutyl-21,22-dihydroporphyrin CAS Name: chromium(2+); 2,17,18,20-tetrabutyl-21,22-dihydroporphyrin IUPAC Name: chromium(2+); 2,17,18,20-tetrabutyl-21,22-dihydroporphyrin Traditional Name: chromous 2,17,18,20-tetrabutyl-21,22-dihydroporphine Formula: C36H46CrN4+2 MolecularWeight: 586.77334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=C3C(=C(C(=N3)C=C4C=CC(=N4)C=C5C=CC(=CC(=C1)N2)N5)CCCC)CCCC)CCCC.[Cr+2]

Isomeric SMILES

CCCCC1=C2C(=C3C(=C(C(=N3)C=C4C=CC(=N4)C=C5C=CC(=CC(=C1)N2)N5)CCCC)CCCC)CCCC.[Cr+2]

InChI

InChI=1S/C36H46N4.Cr/c1-5-9-13-25-21-30-23-28-18-17-26(37-28)22-27-19-20-29(38-27)24-34-31(14-10-6-2)32(15-11-7-3)36(40-34)33(16-12-8-4)35(25)39-30;/h17-24,37,39H,5-16H2,1-4H3;/q;+2