Chem
J-GLOBAL ID：201007067350360237
Nikkaji number：J2.841.335A
1,3,6,8-Tetraoxo-1,2,3,6,7,8-hexahydro-benzo[lmn][3,8]phenanthroline-2,7-bishexanoic acid
1,3,6,8-テトラオキソ-1,2,3,6,7,8-ヘキサヒドロ-ベンゾ[lmn][3,8]フェナントロリン-2,7-ビスヘキサン酸
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： C26H26N2O8
Molecular formula furigana： C26-H26-N2-O8
Molecular weight： 494.500
InChI：
InChI=1S/C26H26N2O8/c29-19(30)7-3-1-5-13-27-23(33)15-9-11-17-22-18(12-10-16(21(15)22)24(27)34)26(36)28(25(17)35)14-6-2-4-8-20(31)32/h9-12H,1-8,13-14H2,(H,29,30)(H,31,32)
InChI key：
LAIOEXMMHIFBFK-UHFFFAOYSA-N
SMILES：
OC(=O)CCCCCn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(CCCCCC(=O)O)c3=O
Systematic name (3)：
- 1,3,6,8-テトラオキソ-1,2,3,6,7,8-ヘキサヒドロ-ベンゾ[lmn][3,8]フェナントロリン-2,7-ビスヘキサン酸
- 6-[13-(5-カルボキシペンチル)-5,7,12,14-テトラオキソ-6,13-ジアザテトラシクロ[6.6.2.04,16.011,15]ヘキサデカ-1,3,8,10,15-ペンタエン-6-イル]ヘキサン酸
- 6-[13-(5-carboxypentyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaen-6-yl]hexanoic acid
- 1,3,6,8-Tetraoxo-1,2,3,6,7,8-hexahydro-benzo[lmn][3,8]phenanthroline-2,7-bishexanoic acid
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