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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:
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Isotopically Labeled
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Found 66 results

Search term: C33H45NO10 (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
390339

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20+,21-,22+,23+,24-,25?,26+,27-,28+,30+,31-,32+,33-/m1/s1
C33H45NO10615.7111302600
3721141

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3
C33H45NO10615.71109999999814377814
52085083

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20+,21-,22+,23+,24-,25-,26+,27-,28+,30+,31-,32+,33-/m1/s1
C33H45NO10615.71119900
57256803

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20+,21-,22?,23+,24-,25-,26+,27-,28+,30+,31-,32+,33-/m1/s1
C33H45NO10615.71117500
17468227

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C33H45NO10/c1-19(35)44-33(27(38)18-43-29(40)8-7-28(39)34-17-22(37)16-26(34)30(41)42-4)14-11-25-23-6-5-20-15-21(36)9-12-31(20,2)24(23)10-13-32(25,33)3/h15,22-26,37H,5-14,16-18H2,1-4H3/t22?,23-,24+,25+,26?,31+,32+,33+/m1/s1
C33H45NO10615.71117300
29273179

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20+,21-,22+,23+,24-,25+,26+,27-,28+,30+,31-,32+,33-/m1/s1
C33H45NO10615.71116400
17472793

4 of 12 defined stereocentres - 4/12 defined
InChI=1/C33H45NO10/c1-18-29(43-20(3)36)26(42-19(2)35)14-28(41-18)44-22-5-10-31(17-34)24-6-9-30(4)23(21-13-27(37)40-16-21)8-12-33(30,39)25(24)7-11-32(31,38)15-22/h13,18,22-26,28-29,38-39H,5-12,14-16H2,1-4H3/t18?,22?,23-,24-,25?,26?,28?,29?,30+,31-,32?,33?/m0/s1
C33H45NO10615.71115100
4444675

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20+,21-,22-,23+,24-,25?,26+,27-,28+,30+,31-,32+,33-/m1/s1
C33H45NO10615.7110999999985600
21823

6 of 14 defined stereocentres - 6/14 defined
InChI=1/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20?,21-,22?,23?,24-,25-,26?,27?,28?,30?,31-,32?,33-/m1/s1
C33H45NO10615.71114300
177084

11 of 14 defined stereocentres - 11/14 defined
InChI=1/C33H45NO10/c1-7-34-14-31(15-39-2)19(35)12-20(41-4)33-18-13-32(38)28(44-30(37)16-8-10-17(40-3)11-9-16)21(18)22(24(36)29(32)43-6)23(27(33)34)25(42-5)26(31)33/h8-11,18-23,25-29,35,38H,7,12-15H2,1-6H3/t18-,19+,20-,21-,22-,23?,25-,26+,27?,28+,29-,31-,32-,33?/m0/s1
C33H45NO10615.71113300
4932288

8 of 14 defined stereocentres - 8/14 defined
InChI=1/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19?,20-,21?,22-,23-,24?,25?,26-,27?,28-,30-,31?,32-,33+/m0/s1
C33H45NO10615.71113300
8184532

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20+,21-,22?,23+,24-,25?,26+,27-,28+,30+,31-,32+,33-/m1/s1
C33H45NO10615.71113200
45848896

9 of 14 defined stereocentres - 9/14 defined
InChI=1/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20+,21?,22?,23+,24?,25?,26+,27-,28+,30+,31-,32?,33-/m1/s1
C33H45NO10615.71113300
3711742

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C33H45NO10/c1-19(35)44-33(27(38)18-43-29(40)8-7-28(39)34-17-22(37)16-26(34)30(41)42-4)14-11-25-23-6-5-20-15-21(36)9-12-31(20,2)24(23)10-13-32(25,33)3/h15,22-26,37H,5-14,16-18H2,1-4H3
C33H45NO10615.7110999999982100
24687813

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C33H45NO10/c1-34(22-12-8-20(9-13-22)32(35)43-24-16-26(37-2)30(41-6)27(17-24)38-3)23-14-10-21(11-15-23)33(36)44-25-18-28(39-4)31(42-7)29(19-25)40-5/h16-23H,8-15H2,1-7H3/t20-,21-,22+,23+
C33H45NO10615.71112200
24689389

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C33H45NO10/c1-34(22-12-8-20(9-13-22)32(35)43-24-16-26(37-2)30(41-6)27(17-24)38-3)23-14-10-21(11-15-23)33(36)44-25-18-28(39-4)31(42-7)29(19-25)40-5/h16-23H,8-15H2,1-7H3/t20-,21-,22-,23-
C33H45NO10615.71112200
28516810

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C33H45NO10/c1-18(2)19(3)14-27(36)43-25-17-24-29(5)10-9-22(42-28(37)23-16-26(41-7)34-44-23)15-21(29)8-11-32(24,39)33(40)13-12-31(38,20(4)35)30(25,33)6/h8,14,16,18,22,24-25,38-40H,9-13,15,17H2,1-7H3/b19-14+/t22-,24+,25+,29-,30+,31+,32-,33+/m0/s1
C33H45NO10615.71112200
62840573

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19?,20-,21+,22-,23-,24+,25?,26-,27+,28-,30-,31+,32-,33+/m0/s1
C33H45NO10615.71112100
64849697

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20+,21-,22+,23+,24-,25?,26+,27-,28?,30+,31-,32+,33-/m1/s1
C33H45NO10615.71112300
1234

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