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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 64 results

Search term: C33H52O7 (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9257425

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H52O7/c1-27(2,35)13-12-26-32(9,40-29(5,6)39-26)25-11-15-33(36)20-16-22(34)21-17-23-24(38-28(3,4)37-23)18-30(21,7)19(20)10-14-31(25,33)8/h16,19,21,23-26,35-36H,10-15,17-18H2,1-9H3/t19-,21-,23+,24-,25-,26+,30+,31+,32+,33+/m0/s1
C33H52O7560.7618281900
24823360

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H52O7/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-33(25,26)5)12-13-23-18-24(14-11-20(23)3)39-32-29(36)27(34)28(35)30(40-32)31(37)38/h12-13,19,21,24-30,32,34-36H,3,6-11,14-18H2,1-2,4-5H3,(H,37,38)/b22-12+,23-13-/t21-,24+,25-,26+,27+,28+,29-,30+,32-,33-/m1/s1
C33H52O7560.76187500
21333050

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C33H52O7/c1-27(2,35)13-12-26-32(9,40-29(5,6)39-26)25-11-15-33(36)20-16-22(34)21-17-23-24(38-28(3,4)37-23)18-30(21,7)19(20)10-14-31(25,33)8/h16,19,21,23-26,35-36H,10-15,17-18H2,1-9H3/t19-,21-,23+,24-,25-,26+,30?,31?,32+,33+/m0/s1
C33H52O7560.76185300
2976191

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C33H52O7/c1-27(2,35)13-12-26-32(9,40-29(5,6)39-26)25-11-15-33(36)20-16-22(34)21-17-23-24(38-28(3,4)37-23)18-30(21,7)19(20)10-14-31(25,33)8/h16,19,21,23-26,35-36H,10-15,17-18H2,1-9H3
C33H52O7560.7617799999985300
9159778

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C33H52O7/c1-18(19(2)30(5,6)40-21(4)35)29(39-20(3)34)33(9,38)28-27(37)17-26-24-11-10-22-16-23(36)12-14-31(22,7)25(24)13-15-32(26,28)8/h18-19,22,24-26,28-29,38H,10-17H2,1-9H3/t18-,19-,22-,24+,25-,26-,28-,29+,31-,32-,33+/m0/s1
C33H52O7560.76185400
8706306

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C33H52O7/c1-8-30(5)11-9-12-31(6)23(30)10-13-32(7)24(31)16-26(39-20(4)36)33-17-21(37)29(33)28(19(3)35)22(15-25(32)33)40-27(38)14-18(2)34/h18,21-26,28-29,34,37H,8-17H2,1-7H3/t18?,21-,22+,23+,24-,25+,26+,28-,29+,30+,31+,32-,33-/m1/s1
C33H52O7560.76184300
160127

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H52O7/c1-19(2)9-8-10-20(3)31-29(39-22(5)35)16-27-25-12-11-24-15-28(37)30(40-23(6)36)17-32(24,7)26(25)13-14-33(27,31)18-38-21(4)34/h11,19-20,25-31,37H,8-10,12-18H2,1-7H3/t20-,25-,26+,27+,28+,29+,30-,31+,32+,33-/m1/s1
C33H52O7560.76184400
24712410

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C33H52O7/c1-9-30(5)12-10-13-31(6)24(30)11-14-32(7)25(31)17-27(39-21(4)37)33(8)22(18-34)29(20(3)36)23(16-26(32)33)40-28(38)15-19(2)35/h18-19,22-27,29,35H,9-17H2,1-8H3/t19-,22+,23+,24+,25-,26+,27+,29+,30+,31+,32-,33-/m1/s1
C33H52O7560.76184400
9874431

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C33H52O7/c1-19(20(2)31(7,37)18-38-21(3)34)28(39-22(4)35)32(8)33(40-32)16-13-27-25-10-9-23-17-24(36)11-14-29(23,5)26(25)12-15-30(27,33)6/h19-20,23,25-28,37H,9-18H2,1-8H3/t19-,20-,23-,25+,26-,27-,28+,29-,30-,31?,32-,33-/m0/s1
C33H52O7560.76184300
35293823

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H52O7/c1-27(2,35)13-12-26-32(9,40-29(5,6)39-26)25-11-15-33(36)20-16-22(34)21-17-23-24(38-28(3,4)37-23)18-30(21,7)19(20)10-14-31(25,33)8/h16,19,21,23-26,35-36H,10-15,17-18H2,1-9H3/t19-,21-,23+,24-,25-,26-,30+,31+,32+,33+/m0/s1
C33H52O7560.76184300
60499067

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C33H52O7/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-33(25,26)5)12-13-23-18-24(14-11-20(23)3)39-32-29(36)27(34)28(35)30(40-32)31(37)38/h12-13,19,21,24-30,32,34-36H,3,6-11,14-18H2,1-2,4-5H3,(H,37,38)/b22-12u,23-13+/t21-,24+,25-,26+,27+,28+,29+,30?,32-,33-/m1/s1
C33H52O7560.76183200
160125

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H52O7/c1-19(2)9-8-10-20(3)27-17-29(40-23(6)36)31-30-26(12-14-33(27,31)18-38-21(4)34)32(7)13-11-25(37)15-24(32)16-28(30)39-22(5)35/h16,19-20,25-31,37H,8-15,17-18H2,1-7H3/t20-,25-,26+,27-,28+,29-,30+,31+,32+,33+/m1/s1
C33H52O7560.76183300
4952651

Double-bond stereo

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C33H52O7/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-33(25,26)5)12-13-23-18-24(14-11-20(23)3)39-32-29(36)27(34)28(35)30(40-32)31(37)38/h12-13,19,21,24-30,32,34-36H,3,6-11,14-18H2,1-2,4-5H3,(H,37,38)/b22-12+,23-13+/t21-,24?,25-,26?,27+,28+,29-,30+,32-,33-/m1/s1
C33H52O7560.76183300
10273620

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C33H52O7/c1-18(19(2)29(5,6)39-21(4)35)28(38-20(3)34)32(9)33(40-32)27(37)17-26-24-11-10-22-16-23(36)12-14-30(22,7)25(24)13-15-31(26,33)8/h18-19,22,24-28,37H,10-17H2,1-9H3/t18-,19-,22-,24+,25-,26-,27-,28+,30-,31-,32-,33-/m0/s1
C33H52O7560.76183400
8160871

Double-bond stereo

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C33H52O7/c1-5-6-11-23(2)29(39-32-12-7-9-16-37-32)15-14-27-28-19-25(24(3)21-36-22-31(34)35-4)18-26(28)20-30(27)40-33-13-8-10-17-38-33/h14-15,18,23,26-30,32-33H,3,5-13,16-17,19-22H2,1-2,4H3/b15-14+/t23?,26-,27+,28-,29+,30+,32?,33?/m0/s1
C33H52O7560.76182100
8274884

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C33H52O7/c1-4-6-7-12-27(39-32-13-8-10-17-37-32)15-16-28-29-20-25(24(5-2)22-36-23-31(34)35-3)19-26(29)21-30(28)40-33-14-9-11-18-38-33/h5,15-16,19,26-30,32-33H,4,6-14,17-18,20-23H2,1-3H3/b16-15+,24-5+/t26-,27-,28+,29-,30+,32?,33?/m0/s1
C33H52O7560.76182100
8274885

Double-bond stereo

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C33H52O7/c1-5-6-11-23(2)29(39-32-12-7-9-16-37-32)15-14-27-28-19-25(24(3)21-36-22-31(34)35-4)18-26(28)20-30(27)40-33-13-8-10-17-38-33/h14-15,19,23,26-30,32-33H,3,5-13,16-18,20-22H2,1-2,4H3/b15-14+/t23?,26-,27+,28-,29+,30+,32?,33?/m0/s1
C33H52O7560.76182100
77452060

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H52O7/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-33(25,26)5)12-13-23-18-24(14-11-20(23)3)39-32-29(36)27(34)28(35)30(40-32)31(37)38/h12-13,19,21,24-30,32,34-36H,3,6-11,14-18H2,1-2,4-5H3,(H,37,38)/b22-12-,23-13+/t21-,24+,25-,26+,27+,28+,29-,30+,32-,33-/m1/s1
C33H52O7560.76182100
28582640

Double-bond stereo

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C33H52O7/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-33(25,26)5)12-13-23-18-24(14-11-20(23)3)39-32-29(36)27(34)28(35)30(40-32)31(37)38/h12-13,19,21,24-30,32,34-36H,3,6-11,14-18H2,1-2,4-5H3,(H,37,38)/b22-12+,23-13+
C33H52O7560.76182200
9909131

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C33H52O7/c1-9-21(17(2)3)30-29(40-30)18(4)23-10-11-24-22-16-37-31(36)26-14-27(38-19(5)34)28(39-20(6)35)15-33(26,8)25(22)12-13-32(23,24)7/h17-18,21-30H,9-16H2,1-8H3/t18-,21-,22-,23+,24-,25-,26+,27-,28+,29?,30?,32+,33+/m0/s1
C33H52O7560.76182100
1234

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