1-[12-ethanoyl-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-yl]ethanone

Systemtic Name: 1-[12-ethanoyl-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-yl]ethanone Openeye Name: 1-[12-acetyl-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-yl]ethanone CAS Name: 1-[12-acetyl-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-yl]ethanone IUPAC Name: 1-[12-acetyl-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-yl]ethanone Traditional Name: 1-(12-acetyl-5-mesityl-17,17-dimethyl-22,23-dihydro-18H-porphin-2-yl)ethanone Formula: C35H34N4O2 MolecularWeight: 542.67006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=CC4=C(C=C(N4)C=C5C(CC(=N5)C=C6C(=CC2=N6)C(=O)C)(C)C)C(=O)C)N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=CC4=C(C=C(N4)C=C5C(CC(=N5)C=C6C(=CC2=N6)C(=O)C)(C)C)C(=O)C)N3)C

InChI

InChI=1S/C35H34N4O2/c1-18-10-19(2)33(20(3)11-18)34-28-9-8-23(36-28)13-29-26(21(4)40)12-24(37-29)15-32-35(6,7)17-25(38-32)14-30-27(22(5)41)16-31(34)39-30/h8-16,36-37H,17H2,1-7H3