3-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)prop-2-enoic acid

Systemtic Name: 3-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)prop-2-enoic acid Openeye Name: 3-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)prop-2-enoic acid CAS Name: 3-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)-2-propenoic acid IUPAC Name: 3-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)prop-2-enoic acid Traditional Name: 3-(10,15,20-triphenyl-23,24-dihydroporphin-5-yl)acrylic acid Formula: C41H28N4O2 MolecularWeight: 608.68662

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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)C=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=CC(=O)O)C7=CC=CC=C7)C8=CC=CC=C8)N3

InChI

InChI=1S/C41H28N4O2/c46-38(47)25-16-29-30-17-19-32(42-30)39(26-10-4-1-5-11-26)34-21-23-36(44-34)41(28-14-8-3-9-15-28)37-24-22-35(45-37)40(27-12-6-2-7-13-27)33-20-18-31(29)43-33/h1-25,44-45H,(H,46,47)