Chem
J-GLOBAL ID:200907044646304560
Nikkaji number:J227.913D
Indo-1
インド-1
Download MOL file
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:
C32 H31 N3 O12
Molecular formula furigana:
C32-H31-N3-O12
Molecular weight:
649.609
InChI:
InChI=1S/C32H31N3O12/c1-18-2-6-24(34(14-28(36)37)15-29(38)39)26(10-18)46-8-9-47-27-13-20(5-7-25(27)35(16-30(40)41)17-31(42)43)22-11-19-3-4-21(32(44)45)12-23(19)33-22/h2-7,10-13,33H,8-9,14-17H2,1H3,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45)
InChI key:
AMHAQOBUZCQMHN-UHFFFAOYSA-N
SMILES:
Cc1ccc(N(CC(=O)O)CC(=O)O)c(OCCOc2cc(ccc2N(CC(=O)O)CC(=O)O)c2cc3ccc(cc3[nH]2)C(=O)O)c1
Systematic name (3):
2-[4-[ビス(カルボキシメチル)アミノ]-3-[2-[2-[ビス(カルボキシメチル)アミノ]-5-メチルフェノキシ]エトキシ]フェニル]-1H-インドール-6-カルボン酸
2-{4-[ビス(カルボキシメチル)アミノ]-3-(2-{2-[ビス(カルボキシメチル)アミノ]-5-メチルフェノキシ}エトキシ)フェニル}-1H-インドール-6-カルボン酸
2-{4-[bis(carboxymethyl)amino]-3-(2-{2-[bis(carboxymethyl)amino]-5-methylphenoxy}ethoxy)phenyl}-1H-indole-6-carboxylic acid
Other name (5):
Indo-1
インド-1
2-[4-[Bis(carboxymethyl)amino]-3-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]phenyl]-1H-indole-6-carboxylic acid
インド1
Indo 1
CAS registry number:
96314-96-4
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