2-[4-[Bis(carboxymethyl)amino]-3-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]phenyl]-1H-indole-6-carboxylic acid

CAS Registry Number®

96314-96-4

CAS Name

2-[4-[Bis(carboxymethyl)amino]-3-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]phenyl]-1H-indole-6-carboxylic acid

Molecular Formula

C32H31N3O12

Molecular Mass

649.60

Cite this Page

2-[4-[Bis(carboxymethyl)amino]-3-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]phenyl]-1H-indole-6-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=96314-96-4 (retrieved 2024-11-26) (CAS RN: 96314-96-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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)

InChIKey

InChIKey=AMHAQOBUZCQMHN-UHFFFAOYSA-N

SMILES

N(CC(O)=O)(CC(O)=O)C1=C(OCCOC2=C(N(CC(O)=O)CC(O)=O)C=CC(C)=C2)C=C(C=C1)C=3NC=4C(C3)=CC=C(C(O)=O)C4

Canonical SMILES

O=C(O)C=1C=CC=2C=C(NC2C1)C3=CC=C(C(OCCOC4=CC(=CC=C4N(CC(=O)O)CC(=O)O)C)=C3)N(CC(=O)O)CC(=O)O

Other Names for this Substance

  • 1H-Indole-6-carboxylic acid, 2-[4-[bis(carboxymethyl)amino]-3-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]phenyl]-
  • 2-[4-[Bis(carboxymethyl)amino]-3-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]phenyl]-1H-indole-6-carboxylic acid
  • Indo 1

CAS INSIGHTSTM
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