2-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenoxy]ethyl nitrate

Systemtic Name: 2-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenoxy]ethyl nitrate Openeye Name: 2-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenoxy]ethyl nitrate CAS Name: nitric acid 2-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenoxy]ethyl ester IUPAC Name: 2-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenoxy]ethyl nitrate Traditional Name: nitric acid 2-[4-(10,15,20-triphenyl-23,24-dihydroporphin-5-yl)phenoxy]ethyl ester Formula: C46H33N5O4 MolecularWeight: 719.78532

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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)C7=CC=C(C=C7)OCCO[N+](=O)[O-])C8=CC=CC=C8)C9=CC=CC=C9)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OCCO[N+](=O)[O-])C8=CC=CC=C8)C9=CC=CC=C9)N3

InChI

InChI=1S/C46H33N5O4/c52-51(53)55-29-28-54-34-18-16-33(17-19-34)46-41-26-24-39(49-41)44(31-12-6-2-7-13-31)37-22-20-35(47-37)43(30-10-4-1-5-11-30)36-21-23-38(48-36)45(32-14-8-3-9-15-32)40-25-27-42(46)50-40/h1-27,47-48H,28-29H2