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

Systemtic Name: zinc decyl 2-[3,7,8,12,13,17,18-heptakis(2-decoxy-2-oxidanylidene-ethyl)porphyrin-21,24-diid-2-yl]ethanoate Openeye Name: zinc decyl 2-[3,7,8,12,13,17,18-heptakis(2-decoxy-2-oxo-ethyl)porphyrin-21,24-diid-2-yl]acetate CAS Name: zinc 2-[3,7,8,12,13,17,18-heptakis(2-decoxy-2-oxoethyl)-2-porphyrin-21,24-diidyl]acetic acid decyl ester IUPAC Name: zinc decyl 2-[3,7,8,12,13,17,18-heptakis(2-decoxy-2-oxoethyl)porphyrin-21,24-diid-2-yl]acetate Traditional Name: zinc 2-[3,7,8,12,13,17,18-heptakis(2-decoxy-2-keto-ethyl)porphine-21,24-diid-2-yl]acetic acid decyl ester Formula: C116H188N4O16Zn MolecularWeight: 1960.16012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C116H188N4O16.Zn/c1-9-17-25-33-41-49-57-65-73-129-109(121)81-93-94(82-110(122)130-74-66-58-50-42-34-26-18-10-2)102-90-104-97(85-113(125)133-77-69-61-53-45-37-29-21-13-5)98(86-114(126)134-78-70-62-54-46-38-30-22-14-6)106(119-104)92-108-100(88-116(128)136-80-72-64-56-48-40-32-24-16-8)99(87-115(127)135-79-71-63-55-47-39-31-23-15-7)107(120-108)91-105-96(84-112(124)132-76-68-60-52-44-36-28-20-12-4)95(103(118-105)89-101(93)117-102)83-111(123)131-75-67-59-51-43-35-27-19-11-3;/h89-92H,9-88H2,1-8H3;/q-2;+2