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

Systemtic Name: zinc propyl 2-[3,7,8,12,13,17,18-heptakis(2-oxidanylidene-2-propoxy-ethyl)porphyrin-21,24-diid-2-yl]ethanoate Openeye Name: zinc propyl 2-[3,7,8,12,13,17,18-heptakis(2-oxo-2-propoxy-ethyl)porphyrin-21,24-diid-2-yl]acetate CAS Name: zinc 2-[3,7,8,12,13,17,18-heptakis(2-oxo-2-propoxyethyl)-2-porphyrin-21,24-diidyl]acetic acid propyl ester IUPAC Name: zinc propyl 2-[3,7,8,12,13,17,18-heptakis(2-oxo-2-propoxyethyl)porphyrin-21,24-diid-2-yl]acetate Traditional Name: zinc 2-[3,7,8,12,13,17,18-heptakis(2-keto-2-propoxy-ethyl)porphine-21,24-diid-2-yl]acetic acid propyl ester Formula: C60H76N4O16Zn MolecularWeight: 1174.67164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C60H76N4O16.Zn/c1-9-17-73-53(65)25-37-38(26-54(66)74-18-10-2)46-34-48-41(29-57(69)77-21-13-5)42(30-58(70)78-22-14-6)50(63-48)36-52-44(32-60(72)80-24-16-8)43(31-59(71)79-23-15-7)51(64-52)35-49-40(28-56(68)76-20-12-4)39(27-55(67)75-19-11-3)47(62-49)33-45(37)61-46;/h33-36H,9-32H2,1-8H3;/q-2;+2