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

Systemtic Name: zinc undecyl 2-[3,7,8,12,13,17,18-heptakis(2-oxidanylidene-2-undecoxy-ethyl)porphyrin-21,24-diid-2-yl]ethanoate Openeye Name: zinc undecyl 2-[3,7,8,12,13,17,18-heptakis(2-oxo-2-undecoxy-ethyl)porphyrin-21,24-diid-2-yl]acetate CAS Name: zinc 2-[3,7,8,12,13,17,18-heptakis(2-oxo-2-undecoxyethyl)-2-porphyrin-21,24-diidyl]acetic acid undecyl ester IUPAC Name: zinc undecyl 2-[3,7,8,12,13,17,18-heptakis(2-oxo-2-undecoxyethyl)porphyrin-21,24-diid-2-yl]acetate Traditional Name: zinc 2-[3,7,8,12,13,17,18-heptakis(2-keto-2-undecoxy-ethyl)porphine-21,24-diid-2-yl]acetic acid undecyl ester Formula: C124H204N4O16Zn MolecularWeight: 2072.37276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C124H204N4O16.Zn/c1-9-17-25-33-41-49-57-65-73-81-137-117(129)89-101-102(90-118(130)138-82-74-66-58-50-42-34-26-18-10-2)110-98-112-105(93-121(133)141-85-77-69-61-53-45-37-29-21-13-5)106(94-122(134)142-86-78-70-62-54-46-38-30-22-14-6)114(127-112)100-116-108(96-124(136)144-88-80-72-64-56-48-40-32-24-16-8)107(95-123(135)143-87-79-71-63-55-47-39-31-23-15-7)115(128-116)99-113-104(92-120(132)140-84-76-68-60-52-44-36-28-20-12-4)103(111(126-113)97-109(101)125-110)91-119(131)139-83-75-67-59-51-43-35-27-19-11-3;/h97-100H,9-96H2,1-8H3;/q-2;+2