68510-93-0
2,3,4-TRIHYDROXYBENZOPHENONE NAPHTHOQUINONE-1,2-DIAZIDO-5-SULFONATE
Name
2,3,4-TRIHYDROXYBENZOPHENONE NAPHTHOQUINONE-1,2-DIAZIDO-5-SULFONATE
Formula
C43 H22 N6 O13 S3
MolWeight
926.874
1Identification
【Name】
2,3,4-TRIHYDROXYBENZOPHENONE NAPHTHOQUINONE-1,2-DIAZIDO-5-SULFONATE
【CAS】
【MDL】
MFCD01940889
【English Synonyms】
【Formula】
C43 H22 N6 O13 S3
【MolWeight】
926.874
【Inchi】
InChI=1S/C43H22N6O13S3/c44-47-31-19-15-24-27(39(31)51)9-4-12-35(24)63(54,55)60-34-22-18-30(38(50)23-7-2-1-3-8-23)42(61-64(56,57)36-13-5-10-28-25(36)16-20-32(48-45)40(28)52)43(34)62-65(58,59)37-14-6-11-29-26(37)17-21-33(49-46)41(29)53/h1-22H
【InChIKey】
InChIKey=IYBMFZHGMIRLPI-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C(=O)c2ccc(c(c2OS(=O)(=O)c3cccc4c3C=CC(=[N+]=[N-])C4=O)OS(=O)(=O)c5cccc6c5C=CC(=[N+]=[N-])C6=O)OS(=O)(=O)c7cccc8c7C=CC(=[N+]=[N-])C8=O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:19
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,3,4-TRIHYDROXYBENZOPHENONE NAPHTHOQUINONE-1,2-DIAZIDO-5-SULFONATE.cml
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Accel Pharmtech LLC
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