2,2,7,8,12,13,17,18-octaethyl-3-oxidanylidene-23,24-dihydroporphyrin-5-carbaldehyde

Systemtic Name: 2,2,7,8,12,13,17,18-octaethyl-3-oxidanylidene-23,24-dihydroporphyrin-5-carbaldehyde Openeye Name: 2,2,7,8,12,13,17,18-octaethyl-3-oxo-23,24-dihydroporphyrin-5-carbaldehyde CAS Name: 2,2,7,8,12,13,17,18-octaethyl-3-oxo-23,24-dihydroporphyrin-5-carboxaldehyde IUPAC Name: 2,2,7,8,12,13,17,18-octaethyl-3-oxo-23,24-dihydroporphyrin-5-carbaldehyde Traditional Name: 2,2,7,8,12,13,17,18-octaethyl-3-keto-23,24-dihydroporphine-5-carbaldehyde Formula: C37H46N4O2 MolecularWeight: 578.78674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=NC(=C(C4=NC(=CC5=C(C(=C(N5)C=C1N2)CC)CC)C(C4=O)(CC)CC)C=O)C(=C3CC)CC)CC

Isomeric SMILES

CCC1=C(C2=CC3=NC(=C(C4=NC(=CC5=C(C(=C(N5)C=C1N2)CC)CC)C(C4=O)(CC)CC)C=O)C(=C3CC)CC)CC

InChI

InChI=1S/C37H46N4O2/c1-9-21-22(10-2)30-18-31-25(13-5)26(14-6)34(40-31)27(20-42)35-36(43)37(15-7,16-8)33(41-35)19-32-24(12-4)23(11-3)29(39-32)17-28(21)38-30/h17-20,38-39H,9-16H2,1-8H3