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Substance Name: Crabescein
RN: 102072-98-0
InChIKey: RZINWHUVTCOTLY-UHFFFAOYSA-N

Molecular Formula

  • C25-H22-N2-O5-S2

Molecular Weight

  • 494.59
 
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Names and Synonyms

Name of Substance

  • Crabescein

Systematic Name

  • 1,3-Benzenedicarboxamide, 4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-N,N'-bis(2-mercaptoethyl)-

Registry Numbers

CAS Registry Number

  • 102072-98-0

System Generated Number

  • 0102072980

Structure Descriptors

InChI

1S/C25H22N2O5S2/c28-15-2-5-18-21(12-15)32-22-13-16(29)3-6-19(22)23(18)17-4-1-14(24(30)26-7-9-33)11-20(17)25(31)27-8-10-34/h1-6,11-13,28,33-34H,7-10H2,(H,26,30)(H,27,31)

InChIKey

RZINWHUVTCOTLY-UHFFFAOYSA-N

Smiles

c1(cc(c(cc1)c1c2ccc(cc2oc2cc(ccc12)O)=O)C(=O)NCCS)C(=O)NCCS