3-[(E)-2-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)ethenyl]-4-propan-2-yloxy-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[(E)-2-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)ethenyl]-4-propan-2-yloxy-cyclobut-3-ene-1,2-dione Openeye Name: 3-[(E)-2-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)vinyl]-4-isopropoxy-cyclobut-3-ene-1,2-dione CAS Name: 3-[(E)-2-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)ethenyl]-4-propan-2-yloxycyclobut-3-ene-1,2-dione IUPAC Name: 3-[(E)-2-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)ethenyl]-4-propan-2-yloxycyclobut-3-ene-1,2-dione Traditional Name: 3-[(E)-2-(10,20-diphenyl-23,24-dihydroporphin-5-yl)vinyl]-4-isopropoxy-cyclobut-3-ene-1,2-quinone Formula: C41H30N4O3 MolecularWeight: 626.7019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=O)C1=O)C=CC2=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

CC(C)OC1=C(C(=O)C1=O)/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/C41H30N4O3/c1-24(2)48-41-30(39(46)40(41)47)16-15-29-31-19-21-35(44-31)37(25-9-5-3-6-10-25)33-17-13-27(42-33)23-28-14-18-34(43-28)38(26-11-7-4-8-12-26)36-22-20-32(29)45-36/h3-24,42-43H,1-2H3/b16-15+,27-23?,28-23?,31-29?,32-29?,37-33?,37-35?,38-34?,38-36?