2-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)-5-methyl-3-propan-2-yloxy-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)-5-methyl-3-propan-2-yloxy-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)-3-isopropoxy-5-methyl-1,4-benzoquinone CAS Name: 2-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)-5-methyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)-5-methyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(10,20-diphenyl-23,24-dihydroporphin-5-yl)-3-isopropoxy-5-methyl-p-benzoquinone Formula: C42H32N4O3 MolecularWeight: 640.72848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(C1=O)OC(C)C)C2=C3C=CC(=N3)C(=C4C=CC(=CC5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)N4)C8=CC=CC=C8

Isomeric SMILES

CC1=CC(=O)C(=C(C1=O)OC(C)C)C2=C3C=CC(=N3)C(=C4C=CC(=CC5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)N4)C8=CC=CC=C8

InChI

InChI=1S/C42H32N4O3/c1-24(2)49-42-40(36(47)22-25(3)41(42)48)39-34-20-18-32(45-34)37(26-10-6-4-7-11-26)30-16-14-28(43-30)23-29-15-17-31(44-29)38(27-12-8-5-9-13-27)33-19-21-35(39)46-33/h4-24,43-44H,1-3H3