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

Systemtic Name: zinc tetradecyl 2-[3,7,8,12,13,17,18-heptakis(2-oxidanylidene-2-tetradecoxy-ethyl)porphyrin-21,24-diid-2-yl]ethanoate Openeye Name: zinc tetradecyl 2-[3,7,8,12,13,17,18-heptakis(2-oxo-2-tetradecoxy-ethyl)porphyrin-21,24-diid-2-yl]acetate CAS Name: zinc 2-[3,7,8,12,13,17,18-heptakis(2-oxo-2-tetradecoxyethyl)-2-porphyrin-21,24-diidyl]acetic acid tetradecyl ester IUPAC Name: zinc tetradecyl 2-[3,7,8,12,13,17,18-heptakis(2-oxo-2-tetradecoxyethyl)porphyrin-21,24-diid-2-yl]acetate Traditional Name: zinc 2-[3,7,8,12,13,17,18-heptakis(2-keto-2-myristyloxy-ethyl)porphine-21,24-diid-2-yl]acetic acid myristyl ester Formula: C148H252N4O16Zn MolecularWeight: 2409.01068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C148H252N4O16.Zn/c1-9-17-25-33-41-49-57-65-73-81-89-97-105-161-141(153)113-125-126(114-142(154)162-106-98-90-82-74-66-58-50-42-34-26-18-10-2)134-122-136-129(117-145(157)165-109-101-93-85-77-69-61-53-45-37-29-21-13-5)130(118-146(158)166-110-102-94-86-78-70-62-54-46-38-30-22-14-6)138(151-136)124-140-132(120-148(160)168-112-104-96-88-80-72-64-56-48-40-32-24-16-8)131(119-147(159)167-111-103-95-87-79-71-63-55-47-39-31-23-15-7)139(152-140)123-137-128(116-144(156)164-108-100-92-84-76-68-60-52-44-36-28-20-12-4)127(135(150-137)121-133(125)149-134)115-143(155)163-107-99-91-83-75-67-59-51-43-35-27-19-11-3;/h121-124H,9-120H2,1-8H3;/q-2;+2