Chem
J-GLOBAL ID：200907066302654140
Nikkaji number：J1.614.906C
3,3′-[Dithiobis[ethyleneimino(3-oxopropane-3,1-diyl)(2,8,12,17-tetramethyl-13,18-diethyl-21H,23H-porphyrin-3,7-diyl)]]bis(propanoic acid methyl) ester
3,3′-[ジチオビス[エチレンイミノ(3-オキソプロパン-3,1-ジイル)(2,8,12,17-テトラメチル-13,18-ジエチル-21H,23H-ポルフィリン-3,7-ジイル)]]ビス(プロパン酸メチル)
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： C74H88N10O6S2
Molecular formula furigana： C74-H88-N10-O6-S2
Molecular weight： 1277.700
InChI：
InChI=1S/C74H88N10O6S2/c1-15-47-39(5)55-31-57-45(11)53(21-25-73(87)89-13)69(81-57)37-67-51(43(9)61(83-67)35-65-49(17-3)41(7)59(79-65)33-63(47)77-55)19-23-71(85)75-27-29-91-92-30-28-76-72(86)24-20-52-44(10)62-36-66-50(18-4)42(8)60(80-66)34-64-48(16-2)40(6)56(78-64)32-58-46(12)54(22-26-74(88)90-14)70(82-58)38-68(52)84-62/h31-38,77-78,83-84H,15-30H2,1-14H3,(H,75,85)(H,76,86)/b55-31-,56-32-,57-31-,58-32-,59-33-,60-34-,61-35-,62-36-,63-33-,64-34-,65-35-,66-36-,67-37-,68-38-,69-37-,70-38-
InChI key：
FFVINCMSWAIVCS-ARIOKWMKSA-N
SMILES：
CCC1=C(C)C2=N/C/1=C\c1[nH]c(/C=C/3\N=C(/C=c/4\[nH]/c(=C\2)/c(c4C)CC)C(=C3CCC(=O)OC)C)c(c1C)CCC(=O)NCCSSCCNC(=O)CCc1c(C)c2/C=C/3\N=C(/C=c/4\[nH]/c(=C\C5=N/C(=C\c1[nH]2)/C(=C5C)CCC(=O)OC)/c(C)c4CC)C(=C3CC)C
Systematic name (1)：
- 3,3′-[ジチオビス[エチレンイミノ(3-オキソプロパン-3,1-ジイル)(2,8,12,17-テトラメチル-13,18-ジエチル-21H,23H-ポルフィリン-3,7-ジイル)]]ビス(プロパン酸メチル)
- 3,3′-[Dithiobis[ethyleneimino(3-oxopropane-3,1-diyl)(2,8,12,17-tetramethyl-13,18-diethyl-21H,23H-porphyrin-3,7-diyl)]]bis(propanoic acid methyl) ester
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