zinc (1E)-1-(8,8-dimethyl-7H-porphyrin-24-id-2-ylidene)ethanolate

Systemtic Name: zinc (1E)-1-(8,8-dimethyl-7H-porphyrin-24-id-2-ylidene)ethanolate Openeye Name: zinc (1E)-1-(8,8-dimethyl-7H-porphyrin-24-id-2-ylidene)ethanolate CAS Name: zinc (1E)-1-(8,8-dimethyl-7H-porphyrin-24-id-2-ylidene)ethanolate IUPAC Name: zinc (1E)-1-(8,8-dimethyl-7H-porphyrin-24-id-2-ylidene)ethanolate Traditional Name: zinc (1E)-1-(8,8-dimethyl-7H-porphin-24-id-2-ylidene)ethanolate Formula: C24H20N4OZn MolecularWeight: 445.8508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=C2C=C3CC(C(=N3)C=C4C=CC(=N4)C=C5C=CC(=CC1=N2)[N-]5)(C)C)[O-].[Zn+2]

Isomeric SMILES

C/C(=C\1/C=C2C=C3CC(C(=N3)C=C4C=CC(=N4)C=C5C=CC(=CC1=N2)[N-]5)(C)C)/[O-].[Zn+2]

InChI

InChI=1S/C24H21N4O.Zn/c1-14(29)21-10-19-9-20-13-24(2,3)23(28-20)12-18-7-5-16(26-18)8-15-4-6-17(25-15)11-22(21)27-19;/h4-12H,13H2,1-3H3,(H-,25,26,27,28,29);/q-1;+2/p-1