(E)-4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)but-2-enoic acid

Systemtic Name: (E)-4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)but-2-enoic acid Openeye Name: (E)-4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)but-2-enoic acid CAS Name: (E)-4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)-2-butenoic acid IUPAC Name: (E)-4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)but-2-enoic acid Traditional Name: (E)-4-(10,15,20-triphenyl-23,24-dihydroporphin-5-yl)but-2-enoic acid Formula: C42H30N4O2 MolecularWeight: 622.7132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)CC=CC(=O)O)C7=CC=CC=C7)C8=CC=CC=C8)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C/C=C/C(=O)O)C7=CC=CC=C7)C8=CC=CC=C8)N3

InChI

InChI=1S/C42H30N4O2/c47-39(48)18-10-17-30-31-19-21-33(43-31)40(27-11-4-1-5-12-27)35-23-25-37(45-35)42(29-15-8-3-9-16-29)38-26-24-36(46-38)41(28-13-6-2-7-14-28)34-22-20-32(30)44-34/h1-16,18-26,45-46H,17H2,(H,47,48)/b18-10+,31-30?,32-30?,40-33?,40-35?,41-34?,41-36?,42-37?,42-38?