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zinc 2,8,12,18-tetrabutyl-5,15-bis(2,5-dithiophen-2-ylthiophen-3-yl)-3,7,13,17-tetramethyl-porphyrin-21,22-diide

zinc 2,8,12,18-tetrabutyl-5,15-bis(2,5-dithiophen-2-ylthiophen-3-yl)-3,7,13,17-tetramethyl-porphyrin-21,22-diide

Systemtic Name:zinc 2,8,12,18-tetrabutyl-5,15-bis(2,5-dithiophen-2-ylthiophen-3-yl)-3,7,13,17-tetramethyl-porphyrin-21,22-diide
Openeye Name:zinc 5,15-bis[2,5-bis(2-thienyl)-3-thienyl]-2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-porphyrin-21,22-diide
CAS Name:zinc 2,8,12,18-tetrabutyl-5,15-bis(2,5-dithiophen-2-yl-3-thiophenyl)-3,7,13,17-tetramethylporphyrin-21,22-diide
IUPAC Name:zinc 2,8,12,18-tetrabutyl-5,15-bis(2,5-dithiophen-2-ylthiophen-3-yl)-3,7,13,17-tetramethylporphyrin-21,22-diide
Traditional Name:zinc 5,15-bis[2,5-bis(2-thienyl)-3-thienyl]-2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-porphine-21,22-diide
Formula: C64H64N4S6Zn
MolecularWeight: 1147.01876
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1[N-]2)CCCC)C)C6=C(SC(=C6)C7=CC=CS7)C8=CC=CS8)C)CCCC)CCCC)C)C9=C(SC(=C9)C1=CC=CS1)C1=CC=CS1)C.[Zn+2]


Isomeric SMILES

CCCCC1=C(C2=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1[N-]2)CCCC)C)C6=C(SC(=C6)C7=CC=CS7)C8=CC=CS8)C)CCCC)CCCC)C)C9=C(SC(=C9)C1=CC=CS1)C1=CC=CS1)C.[Zn+2]


InChI

InChI=1S/C64H64N4S6.Zn/c1-9-13-21-41-37(5)59-57(45-33-55(51-25-17-29-69-51)73-63(45)53-27-19-31-71-53)60-39(7)43(23-15-11-3)49(67-60)36-50-44(24-16-12-4)40(8)62(68-50)58(61-38(6)42(22-14-10-2)48(66-61)35-47(41)65-59)46-34-56(52-26-18-30-70-52)74-64(46)54-28-20-32-72-54;/h17-20,25-36H,9-16,21-24H2,1-8H3;/q-2;+2


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Name: zinc 2,8,12,18-tetrabutyl-5,15-bis(2,5-dithiophen-2-ylthiophen-3-yl)-3,7,13,17-tetramethyl-porphyrin-21,22-diide

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