Chem
J-GLOBAL ID:200907080673021402   Nikkaji number:J2.559.677C

Bis(carboxymethyl)[4-[3-[4-[bis(carboxymethyl)amino]-2-hydroxyphenyl]-2-oxylato-4-oxo-2-cyclobutene-1-ylidene]-3-hydroxy-2,5-cyclohexadiene-1-ylidene]aminium

ビス(カルボキシメチル)[4-[3-[4-[ビス(カルボキシメチル)アミノ]-2-ヒドロキシフェニル]-2-オキシラト-4-オキソ-2-シクロブテン-1-イリデン]-3-ヒドロキシ-2,5-シクロヘキサジエン-1-イリデン]アミニウム
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: C24H20N[N+]O11[O-]
Molecular formula furigana: C24-H20-N2-O12
Molecular weight: 528.426
InChI: InChI=1S/C24H20N2O12/c27-15-5-11(25(7-17(29)30)8-18(31)32)1-3-13(15)21-23(37)22(24(21)38)14-4-2-12(6-16(14)28)26(9-19(33)34)10-20(35)36/h1-6H,7-10H2,(H6,27,28,29,30,31,32,33,34,35,36,37,38)
InChI key: SXZKPBBWESZQHV-UHFFFAOYSA-N
SMILES: OC(=O)CN(CC(=O)O)c1ccc(C2=C([O-])/C(=C\3/C=CC(=[N+](CC(=O)O)CC(=O)O)C=C3O)/C2=O)c(O)c1
Systematic name  (3):
  • ビス(カルボキシメチル)[4-[3-[4-[ビス(カルボキシメチル)アミノ]-2-ヒドロキシフェニル]-2-オキシラト-4-オキソ-2-シクロブテン-1-イリデン]-3-ヒドロキシ-2,5-シクロヘキサジエン-1-イリデン]アミニウム
  • 2-{4-[ビス(カルボキシメチル)アミノ]-2-ヒドロキシフェニル}-4-[(1E)-4-[ビス(カルボキシメチル)イミニウミル]-2-ヒドロキシシクロヘキサ-2,5-ジエン-1-イリデン]-3-オキソシクロブタ-1-エン-1-オラート
  • 2-{4-[bis(carboxymethyl)amino]-2-hydroxyphenyl}-4-[(1E)-4-[bis(carboxymethyl)iminiumyl]-2-hydroxycyclohexa-2,5-dien-1-ylidene]-3-oxocyclobut-1-en-1-olate
Other name (1):
  • Bis(carboxymethyl)[4-[3-[4-[bis(carboxymethyl)amino]-2-hydroxyphenyl]-2-oxylato-4-oxo-2-cyclobutene-1-ylidene]-3-hydroxy-2,5-cyclohexadiene-1-ylidene]aminium
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