1-NITROBENZO(A)PYRENE-TRANS-7,8-DIHYDRODIOL

CAS No.
CCD No.
CCD00236302
Formula
C20 H13 N O4
MolWeight
331.326

Basic Information

Product Name: 1-NITROBENZO(A)PYRENE-TRANS-7,8-DIHYDRODIOL
English Synonyms: 1-NITROBENZO(A)PYRENE-TRANS-7,8-DIHYDRODIOL
MDL Number.: MFCD01662861
H bond acceptor: 5
H bond donor: 2
Smile: c1cc2cc3c(c4c2c5c1ccc(c5cc4)[N+](=O)[O-])C=C[C@H]([C@@H]3O)O
InChi: InChI=1S/C20H13NO4/c22-17-8-6-12-13-4-5-14-16(21(24)25)7-3-10-1-2-11(19(13)18(10)14)9-15(12)20(17)23/h1-9,17,20,22-23H/t17-,20-/m1/s1
InChiKey: InChIKey=SAMPKXSEJLLYLT-YLJYHZDGSA-N

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