2-(3-HYDROXY-6-OXO-XANTHEN-9-YL)-4-ISOTHIOCYANATO-BENZOIC ACID

CAS No.
3012-71-3
CCD No.
CCD08232621
Formula
C21 H11 N O5 S
MolWeight
389.386

Basic Information

Product Name: 2-(3-HYDROXY-6-OXO-XANTHEN-9-YL)-4-ISOTHIOCYANATO-BENZOIC ACID
CAS: 3012-71-3
English Synonyms: 2-(3-HYDROXY-6-OXO-XANTHEN-9-YL)-4-ISOTHIOCYANATO-BENZOIC ACID
MDL Number.: MFCD09953185
H bond acceptor: 6
H bond donor: 2
Smile: c1cc(c(cc1N=C=S)c2c3ccc(cc3oc-4cc(=O)ccc24)O)C(=O)O
InChi: InChI=1S/C21H11NO5S/c23-12-2-5-15-18(8-12)27-19-9-13(24)3-6-16(19)20(15)17-7-11(22-10-28)1-4-14(17)21(25)26/h1-9,23H,(H,25,26)
InChiKey: InChIKey=WLJPEKSIBAZDIU-UHFFFAOYSA-N

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