5-IODO-2-[[[[(2-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID

CAS No.
535954-70-2
CCD No.
CCD00397034
Formula
C16 H12 I N3 O6 S
MolWeight
501.252

Basic Information

Product Name: 5-IODO-2-[[[[(2-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
CAS: 535954-70-2
English Synonyms: BENZOIC ACID, 5-IODO-2-[[[[(2-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]- ; 5-IODO-2-[[[[(2-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
MDL Number.: MFCD03572210
H bond acceptor: 9
H bond donor: 3
Smile: c1ccc(c(c1)[N+](=O)[O-])OCC(=O)NC(=S)Nc2ccc(cc2C(=O)O)I
InChi: InChI=1S/C16H12IN3O6S/c17-9-5-6-11(10(7-9)15(22)23)18-16(27)19-14(21)8-26-13-4-2-1-3-12(13)20(24)25/h1-7H,8H2,(H,22,23)(H2,18,19,21,27)
InChiKey: InChIKey=VEYCCEZPZREGKW-UHFFFAOYSA-N

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