Chem
J-GLOBAL ID：200907001512199590
Nikkaji number：J2.017.843D
21,24-Ethylene-71,74-ethylene-121,124-ethylene-171,174-ethylene-21,24,71,74,121,124,171,174-octahydro-21-oxa-23-thia-21H,23H-tetrabenzo[b,g,l,q]porphyrin
21,24-エチレン-71,74-エチレン-121,124-エチレン-171,174-エチレン-21,24,71,74,121,124,171,174-オクタヒドロ-21-オキサ-23-チア-21H,23H-テトラベンゾ[b,g,l,q]ポルフィリン
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C44H36N2OS
Molecular formula furigana： C44-H36-N2-O-S
Molecular weight： 640.850
InChI：
InChI=1S/C44H36N2OS/c1-5-23-6-2-21(1)37-29-17-33-41-25-9-11-26(12-10-25)42(41)34(47-33)18-30-38-22-3-7-24(8-4-22)40(38)32(46-30)20-36-44-28-15-13-27(14-16-28)43(44)35(48-36)19-31(45-29)39(23)37/h1,3,5,7,9,11,13,15,17-28H,2,4,6,8,10,12,14,16H2/b29-17?,30-18?,31-19-,32-20-,33-17-,34-18-,35-19?,36-20?
InChI key：
ZGRGUIGVVRWPMG-JBPHMQAHSA-N
SMILES：
C1CC2C=CC1C1=C2C2=NC1=Cc1oc(C=C3N=C(C=c4sc(=C2)c2c4C4CCC2C=C4)C2=C3C3CCC2C=C3)c2c1C1CCC2C=C1
Systematic name (1)：
- 21,24-エチレン-71,74-エチレン-121,124-エチレン-171,174-エチレン-21,24,71,74,121,124,171,174-オクタヒドロ-21-オキサ-23-チア-21H,23H-テトラベンゾ[b,g,l,q]ポルフィリン
- 21,24-Ethylene-71,74-ethylene-121,124-ethylene-171,174-ethylene-21,24,71,74,121,124,171,174-octahydro-21-oxa-23-thia-21H,23H-tetrabenzo[b,g,l,q]porphyrin
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