Chem
J-GLOBAL ID：201807010937233510   Nikkaji number：J3.726.495D

3-Vinyl-3-deethyl-15,22-dimethyl-22-azoniarhodochlorin

3-ビニル-3-デエチル-15,22-ジメチル-22-アゾニアロドクロリン
Substance type：
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
Molecular formula： C34H39N3[N+]O4
Molecular formula furigana： C34-H39-N4-O4
Molecular weight： 567.709
InChI： InChI=1S/C34H38N4O4/c1-9-21-16(3)24-13-25-17(4)23(11-12-30(39)40)32(36-25)20(7)33-31(34(41)42)19(6)26(37-33)14-29-22(10-2)18(5)28(38(29)8)15-27(21)35-24/h9,13-15,17,23H,1,10-12H2,2-8H3,(H3,35,36,37,39,40,41,42)/p+1/t17-,23-/m0/s1
InChI key： ZLFTYWVWBIZWCL-SBUREZEXSA-O
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)C=C)[C@H]([C@@H]3CCC(=O)O)C)/C)c(c1C)C(=O)O)C
Systematic name  (3)：
  • 3-ビニル-3-デエチル-15,22-ジメチル-22-アゾニアロドクロリン
  • (9S,10S)-5-カルボキシ-9-(2-カルボキシエチル)-15-エテニル-20-エチル-4,7,10,14,19,21-ヘキサメチル-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3,5,7,11(23),12,14,16,18(21),19-デカエン-21-イウム
  • (9S,10S)-5-carboxy-9-(2-carboxyethyl)-15-ethenyl-20-ethyl-4,7,10,14,19,21-hexamethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,11(23),12,14,16,18(21),19-decaen-21-ium
Other name (1)：
  • 3-Vinyl-3-deethyl-15,22-dimethyl-22-azoniarhodochlorin
Thsaurus map：
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