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

Systemtic Name: prop-2-ynyl 3-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)prop-2-enoate Openeye Name: prop-2-ynyl 3-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)prop-2-enoate CAS Name: 3-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)-2-propenoic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 3-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)prop-2-enoate Traditional Name: 3-(10,15,20-triphenyl-23,24-dihydroporphin-5-yl)acrylic acid propargyl ester Formula: C44H30N4O2 MolecularWeight: 646.7346

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)C=CC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)C6=CC=CC=C6)C7=CC=CC=C7)N3)C8=CC=CC=C8

Isomeric SMILES

C#CCOC(=O)C=CC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)C6=CC=CC=C6)C7=CC=CC=C7)N3)C8=CC=CC=C8

InChI

InChI=1S/C44H30N4O2/c1-2-28-50-41(49)27-18-32-33-19-21-35(45-33)42(29-12-6-3-7-13-29)37-23-25-39(47-37)44(31-16-10-5-11-17-31)40-26-24-38(48-40)43(30-14-8-4-9-15-30)36-22-20-34(32)46-36/h1,3-27,47-48H,28H2