3-(15-bromanyl-10,20-diphenyl-21,22-dihydroporphyrin-5-yl)-4-propan-2-yloxy-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(15-bromanyl-10,20-diphenyl-21,22-dihydroporphyrin-5-yl)-4-propan-2-yloxy-cyclobut-3-ene-1,2-dione Openeye Name: 3-(15-bromo-10,20-diphenyl-21,22-dihydroporphyrin-5-yl)-4-isopropoxy-cyclobut-3-ene-1,2-dione CAS Name: 3-(15-bromo-10,20-diphenyl-21,22-dihydroporphyrin-5-yl)-4-propan-2-yloxycyclobut-3-ene-1,2-dione IUPAC Name: 3-(15-bromo-10,20-diphenyl-21,22-dihydroporphyrin-5-yl)-4-propan-2-yloxycyclobut-3-ene-1,2-dione Traditional Name: 3-(15-bromo-10,20-diphenyl-21,22-dihydroporphin-5-yl)-4-isopropoxy-cyclobut-3-ene-1,2-quinone Formula: C39H27BrN4O3 MolecularWeight: 679.56068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=O)C1=O)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)Br)C=C4)C8=CC=CC=C8)N3

Isomeric SMILES

CC(C)OC1=C(C(=O)C1=O)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)Br)C=C4)C8=CC=CC=C8)N3

InChI

InChI=1S/C39H27BrN4O3/c1-21(2)47-39-35(37(45)38(39)46)34-28-15-13-24(41-28)32(22-9-5-3-6-10-22)26-17-19-30(43-26)36(40)31-20-18-27(44-31)33(23-11-7-4-8-12-23)25-14-16-29(34)42-25/h3-21,41-42H,1-2H3