3-[3,3,7,12,17-pentamethyl-18-(3-oxidanylpropyl)-22,23-dihydro-2H-porphyrin-2-yl]propan-1-ol

Systemtic Name: 3-[3,3,7,12,17-pentamethyl-18-(3-oxidanylpropyl)-22,23-dihydro-2H-porphyrin-2-yl]propan-1-ol Openeye Name: 3-[18-(3-hydroxypropyl)-3,3,7,12,17-pentamethyl-22,23-dihydro-2H-porphyrin-2-yl]propan-1-ol CAS Name: 3-[18-(3-hydroxypropyl)-3,3,7,12,17-pentamethyl-22,23-dihydro-2H-porphyrin-2-yl]-1-propanol IUPAC Name: 3-[18-(3-hydroxypropyl)-3,3,7,12,17-pentamethyl-22,23-dihydro-2H-porphyrin-2-yl]propan-1-ol Traditional Name: 3-[18-(3-hydroxypropyl)-3,3,7,12,17-pentamethyl-22,23-dihydro-2H-porphin-2-yl]propan-1-ol Formula: C31H38N4O2 MolecularWeight: 498.65902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC3=C(C=C(N3)C=C4C(=C(C(=N4)C=C5C(C(C(=N5)C=C1N2)(C)C)CCCO)CCCO)C)C

Isomeric SMILES

CC1=CC2=CC3=C(C=C(N3)C=C4C(=C(C(=N4)C=C5C(C(C(=N5)C=C1N2)(C)C)CCCO)CCCO)C)C

InChI

InChI=1S/C31H38N4O2/c1-18-12-22-15-27-20(3)23(8-6-10-36)28(34-27)16-29-24(9-7-11-37)31(4,5)30(35-29)17-26-19(2)13-21(33-26)14-25(18)32-22/h12-17,24,32-33,36-37H,6-11H2,1-5H3