zinc hexyl 2-[3,7,8,12,13,17,18-heptakis(2-hexoxy-2-oxidanylidene-ethyl)porphyrin-21,24-diid-2-yl]ethanoate

Systemtic Name: zinc hexyl 2-[3,7,8,12,13,17,18-heptakis(2-hexoxy-2-oxidanylidene-ethyl)porphyrin-21,24-diid-2-yl]ethanoate Openeye Name: zinc hexyl 2-[3,7,8,12,13,17,18-heptakis(2-hexoxy-2-oxo-ethyl)porphyrin-21,24-diid-2-yl]acetate CAS Name: zinc 2-[3,7,8,12,13,17,18-heptakis(2-hexoxy-2-oxoethyl)-2-porphyrin-21,24-diidyl]acetic acid hexyl ester IUPAC Name: zinc hexyl 2-[3,7,8,12,13,17,18-heptakis(2-hexoxy-2-oxoethyl)porphyrin-21,24-diid-2-yl]acetate Traditional Name: zinc 2-[3,7,8,12,13,17,18-heptakis(2-hexoxy-2-keto-ethyl)porphine-21,24-diid-2-yl]acetic acid hexyl ester Formula: C84H124N4O16Zn MolecularWeight: 1511.30956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C([N-]5)C=C1[N-]2)CC(=O)OCCCCCC)CC(=O)OCCCCCC)C(=C4CC(=O)OCCCCCC)CC(=O)OCCCCCC)C(=C3CC(=O)OCCCCCC)CC(=O)OCCCCCC)CC(=O)OCCCCCC.[Zn+2]

Isomeric SMILES

CCCCCCOC(=O)CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C([N-]5)C=C1[N-]2)CC(=O)OCCCCCC)CC(=O)OCCCCCC)C(=C4CC(=O)OCCCCCC)CC(=O)OCCCCCC)C(=C3CC(=O)OCCCCCC)CC(=O)OCCCCCC)CC(=O)OCCCCCC.[Zn+2]

InChI

InChI=1S/C84H124N4O16.Zn/c1-9-17-25-33-41-97-77(89)49-61-62(50-78(90)98-42-34-26-18-10-2)70-58-72-65(53-81(93)101-45-37-29-21-13-5)66(54-82(94)102-46-38-30-22-14-6)74(87-72)60-76-68(56-84(96)104-48-40-32-24-16-8)67(55-83(95)103-47-39-31-23-15-7)75(88-76)59-73-64(52-80(92)100-44-36-28-20-12-4)63(71(86-73)57-69(61)85-70)51-79(91)99-43-35-27-19-11-3;/h57-60H,9-56H2,1-8H3;/q-2;+2