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Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 31 results

Search term: C43H81O13P (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28639237

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/b18-17-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
C43H81O13P837.06924500
30791066

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/b18-17-/t35?,38-,39-,40+,41-,42-,43-/m1/s1
C43H81O13P837.06922200
4445466

Double-bond stereo

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/b18-17-/t35?,38?,39-,40+,41-,42-,43?/m1/s1
C43H81O13P837.0692009999982200
4696843

Double-bond stereo

2 of 7 defined stereocentres - 2/7 defined
InChI=1/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/b18-17-/t35-,38?,39-,40?,41?,42?,43?/m1/s1
C43H81O13P837.06922200
4947112

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/b18-17-/t35-,38?,39-,40+,41+,42+,43?/m1/s1
C43H81O13P837.06922200
9854210

Double-bond stereo

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/b18-17-/t35?,38?,39-,40+,41+,42-,43?
C43H81O13P837.06922100
24767668

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/b18-17-/t35-,38?,39-,40?,41?,42?,43-/m1/s1
C43H81O13P837.06922200
24767684

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16,35,38-43,46-50H,3-13,15,17-34H2,1-2H3,(H,51,52)/b16-14-/t35-,38?,39-,40?,41?,42?,43-/m1/s1
C43H81O13P837.06921100
24608343

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h26,28,35,38-43,46-50H,3-25,27,29-34H2,1-2H3,(H,51,52)/b28-26-/t35?,38-,39-,40+,41-,42-,43-/m1/s1
C43H81O13P837.06921600
24767667

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,35,38-43,46-50H,3-12,14,16-34H2,1-2H3,(H,51,52)/b15-13-/t35-,38?,39-,40?,41?,42?,43-/m1/s1
C43H81O13P837.06921100
113377913

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C43H81O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(45)55-35(33-53-36(44)31-29-27-25-23-21-14-12-10-8-6-4-2)34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50/h16-17,35,38-43,46-50H,3-15,18-34H2,1-2H3,(H,51,52)/b17-16-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
C43H81O13P837.06921100
113377938

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C43H81O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(45)55-35(33-53-36(44)31-29-27-25-23-21-14-12-10-8-6-4-2)34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50/h10,12,35,38-43,46-50H,3-9,11,13-34H2,1-2H3,(H,51,52)/b12-10-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
C43H81O13P837.06921100
113377960

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-37(45)55-35(33-53-36(44)31-29-27-25-23-21-16-14-12-10-8-6-4-2)34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50/h18-19,35,38-43,46-50H,3-17,20-34H2,1-2H3,(H,51,52)/b19-18-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
C43H81O13P837.06921100
113377989

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-37(45)55-35(33-53-36(44)31-29-27-25-23-21-16-14-12-10-8-6-4-2)34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50/h12,14,35,38-43,46-50H,3-11,13,15-34H2,1-2H3,(H,51,52)/b14-12-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
C43H81O13P837.06921100
113378022

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16,35,38-43,46-50H,3-13,15,17-34H2,1-2H3,(H,51,52)/b16-14-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
C43H81O13P837.06921100
113378042

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C43H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(44)53-33-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)55-37(45)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h16,18,35,38-43,46-50H,3-15,17,19-34H2,1-2H3,(H,51,52)/b18-16-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
C43H81O13P837.06921100
113378067

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C43H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(44)53-33-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)55-37(45)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h15,17,35,38-43,46-50H,3-14,16,18-34H2,1-2H3,(H,51,52)/b17-15-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
C43H81O13P837.06921100
113378268

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-36(44)53-33-35(55-37(45)32-30-28-26-24-21-16-14-12-10-8-6-4-2)34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50/h12,14,35,38-43,46-50H,3-11,13,15-34H2,1-2H3,(H,51,52)/b14-12-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
C43H81O13P837.06921100
113378295

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-36(44)53-33-35(55-37(45)32-30-28-26-24-21-16-14-12-10-8-6-4-2)34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50/h18-19,35,38-43,46-50H,3-17,20-34H2,1-2H3,(H,51,52)/b19-18-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
C43H81O13P837.06921100
113378322

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C43H81O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(44)53-33-35(55-37(45)32-30-28-26-24-21-14-12-10-8-6-4-2)34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50/h10,12,35,38-43,46-50H,3-9,11,13-34H2,1-2H3,(H,51,52)/b12-10-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
C43H81O13P837.06921100
12

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