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Substance Name: 3H-Naphtho(1,2,3-de)quinoline-1-carboxylic acid, 2,7-dihydro-3-methyl-6-((4-methyl-2-sulfophenyl)amino)-2,7-dioxo-, 1-ethyl ester, ammonium salt (1:1)
RN: 63149-14-4
InChIKey: QVXNYPRHFHUQPZ-UHFFFAOYSA-N

Molecular Formula

  • C27-H22-N2-O7-S.H3-N

Molecular Weight

  • 535.575
 
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Names and Synonyms

Synonyms

  • 3H-Dibenz(f,ij)isoquinoline-1-carboxylic acid, 2,7-dihydro-3-methyl-6-((4-methyl-2-sulfophenyl)amino)-2,7-dioxo-, 1-ethyl ester, monoammonium salt
  • EINECS 263-958-0

Systematic Names

  • 3H-Naphtho(1,2,3-de)quinoline-1-carboxylic acid, 2,7-dihydro-3-methyl-6-((4-methyl-2-sulfophenyl)amino)-2,7-dioxo-, 1-ethyl ester, ammonium salt (1:1)
  • 3H-Naphtho(1,2,3-de)quinoline-1-carboxylic acid, 2,7-dihydro-3-methyl-6-((4-methyl-2-sulfophenyl)amino)-2,7-dioxo-, 1-ethyl ester, monoammonium salt
  • Ammonium 1-ethyl 2,7-dihydro-3-methyl-6-((4-methyl-2-sulphonatophenyl)amino)-2,7-dioxo-3H-dibenz(f,ij)isoquinoline-1-carboxylate

Registry Numbers

CAS Registry Number

  • 63149-14-4

System Generated Number

  • 0063149144

Molecular Formulas

Molecular Formula

  • C27-H22-N2-O7-S.H3-N

Molecular Formula Fragments

  • C27-H22-N2-O7-S
  • COMPONENT
  • H3-N

Structure Descriptors

InChI

1S/C27H22N2O7S.H3N/c1-4-36-27(32)24-21-15-7-5-6-8-16(15)25(30)22-18(11-12-19(23(21)22)29(3)26(24)31)28-17-10-9-14(2)13-20(17)37(33,34)35;/h5-13,28H,4H2,1-3H3,(H,33,34,35);1H3

InChIKey

QVXNYPRHFHUQPZ-UHFFFAOYSA-N

Smiles

c12c3c(C(=O)OCC)c(=O)n(c1ccc(Nc1c(S(=O)(=O)O)cc(C)cc1)c2C(=O)c1c3cccc1)C.N