(Z)-[12,17-diethyl-3,7-bis(3-methoxy-3-oxidanylidene-propyl)-2,8,13,18-tetramethyl-porphyrin-21-id-5-ylidene]methanolate; nickel(2+)

Systemtic Name: (Z)-[12,17-diethyl-3,7-bis(3-methoxy-3-oxidanylidene-propyl)-2,8,13,18-tetramethyl-porphyrin-21-id-5-ylidene]methanolate; nickel(2+) Openeye Name: nickelous (Z)-[12,17-diethyl-3,7-bis(3-methoxy-3-oxo-propyl)-2,8,13,18-tetramethyl-porphyrin-21-id-5-ylidene]methanolate CAS Name: (Z)-[12,17-diethyl-3,7-bis(3-methoxy-3-oxopropyl)-2,8,13,18-tetramethyl-5-porphyrin-21-idylidene]methanolate; nickel(2+) IUPAC Name: (Z)-[12,17-diethyl-3,7-bis(3-methoxy-3-oxopropyl)-2,8,13,18-tetramethylporphyrin-21-id-5-ylidene]methanolate; nickel(2+) Traditional Name: nickelous (Z)-[12,17-diethyl-3,7-bis(3-keto-3-methoxy-propyl)-2,8,13,18-tetramethyl-porphin-21-id-5-ylidene]methanolate Formula: C37H40N4NiO5 MolecularWeight: 679.4307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=C(C(=C([N-]3)C(=C[O-])C4=NC(=CC5=NC(=CC1=N2)C(=C5CC)C)C(=C4CCC(=O)OC)C)CCC(=O)OC)C)C.[Ni+2]

Isomeric SMILES

CCC1=C(C2=CC3=C(C(=C([N-]3)/C(=C/[O-])/C4=NC(=CC5=NC(=CC1=N2)C(=C5CC)C)C(=C4CCC(=O)OC)C)CCC(=O)OC)C)C.[Ni+2]

InChI

InChI=1S/C37H41N4O5.Ni/c1-9-23-19(3)28-15-30-21(5)25(11-13-34(43)45-7)36(40-30)27(18-42)37-26(12-14-35(44)46-8)22(6)31(41-37)17-33-24(10-2)20(4)29(39-33)16-32(23)38-28;/h15-18H,9-14H2,1-8H3,(H-,38,39,40,41,42);/q-1;+2/p-1