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Substance Name: Phthalexon-S
RN: 32736-66-6
InChIKey: MIXOCXDHUWTCBM-UHFFFAOYSA-N

Molecular Formula

  • C29-H28-N2-O13-S

Molecular Weight

  • 644.6072
 
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Names and Synonyms

Name of Substance

  • Phthalexon-S

Synonym

  • Phthalexon S

Systematic Name

  • Glycine, N,N'-(3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, S,S-dioxide

Registry Numbers

CAS Registry Number

  • 32736-66-6

Related Registry Number

  • 34958-53-7 (tetra-hydrochloride salt)

System Generated Number

  • 0032736666

Structure Descriptors

InChI

1S/C29H28N2O13S/c32-20-7-5-15-9-18(20)27(15,30(11-23(34)35)12-24(36)37)29(17-3-1-2-4-22(17)45(42,43)44-29)28(16-6-8-21(33)19(28)10-16)31(13-25(38)39)14-26(40)41/h1-10,18-21,32-33H,11-14H2,(H,34,35)(H,36,37)(H,38,39)(H,40,41)

InChIKey

MIXOCXDHUWTCBM-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)C(OS2(=O)=O)(C3(C4C=C3C=CC4O)N(CC(=O)O)CC(=O)O)C5(C6C=C5C=CC6O)N(CC(=O)O)CC(=O)O