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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
Additional Filters

Found 21 results

Search term: C27H33N9O15P2 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
559059


7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
C27H33N9O15P2785.5497741359137
683

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)
C27H33N9O15P2785.5497111100
2340542

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15-,16+,19+,20+,21+,26+/m0/s1
C27H33N9O15P2785.5497427600
8618

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16-,19-,20-,21-,26-/m1/s1
C27H33N9O15P2785.54976500
388300

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14?,15?,16-,19?,20-,21-,26-/m1/s1
C27H33N9O15P2785.5497424600
4450403

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15-,16-,19+,20-,21-,26-/m1/s1
C27H33N9O15P2785.5497424400
26329699

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15-,16+,19-,20+,21-,26-/m1/s1
C27H33N9O15P2785.54974400
26331115

Charge

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H35N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,32,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H2,33,34,42,43)/p-2/t14-,15+,16+,19-,20+,21+,26+/m0/s1
C27H33N9O15P2785.55083300
10137803

Charge

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H31N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)7-51-49-53(51,46)50-52(44,45)47-6-16-20(40)21(41)26(48-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H3-,28,29,30,34,42,43,44,45)/p+2/t14-,15+,16+,19-,20+,21+,26+,53-/m0/s1
C27H33N9O15P2785.54862200
10138044

Charge

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H31N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-47-52(44,45)50-53(46)49-51(53)7-16-20(40)21(41)26(48-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H3-,28,29,30,34,42,43,44,45)/p+2/t14-,15+,16+,19-,20+,21+,26+,53+/m0/s1
C27H33N9O15P2785.54862200
395701

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H31N9O15P2/c1-10-3-12-13(4-11(10)2)35(23-18(32-12)24(41)34-26(42)33-23)5-14(37)19(39)15(38)6-49-53(46,47)51-52(45)48-7-16-20(40)27(43,44)25(50-16)36-9-31-17-21(28)29-8-30-22(17)36/h3-4,8-9,14-16,19-20,25,37-40,43-44H,5-7H2,1-2H3,(H3-,28,29,30,34,41,42,46,47)/p+2/t14-,15+,16+,19-,20+,25+/m0/s1
C27H33N9O15P2785.54862300
21106439

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15?,16+,19-,20+,21+,26+/m0/s1
C27H33N9O15P2785.54971100
26948086

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H27N7O14P2.C6H6N2O/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33;7-6(9)5-2-1-3-8-4-5/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37);1-4H,(H2,7,9)/t10-,11-,13-,14-,15-,16-,20-,21-;/m1./s1
C27H33N9O15P2785.54971100
50644933

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16-,19+,20+,21-,26+/m1/s1
C27H33N9O15P2785.54971100
122905552

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19+,20+,21+,26+/m1/s1
C27H33N9O15P2785.54971100
12

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