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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
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Found 33 results

Search term: C33H49NO7 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
19953329

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C33H49NO7/c1-16-11-26(36)28(34-14-16)18(3)21-7-8-22-23-6-5-19-12-20(9-10-33(19,4)25(23)13-24(22)17(21)2)40-32-31(39)30(38)29(37)27(15-35)41-32/h5,7-8,16,18,20,23,25-32,34-39H,6,9-15H2,1-4H3/t16-,18-,20-,23-,25-,26+,27+,28-,29+,30-,31+,32+,33-/m0/s1
C33H49NO7571.7447232700
23172408

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C33H49NO7/c1-6-33(4,5)31(37)40-27-16-21(3)30(41-32(38)34-19-22-10-8-7-9-11-22)26-14-12-20(2)25(29(26)27)15-13-24-17-23(35)18-28(36)39-24/h7-11,20-21,23-27,29-30,35H,6,12-19H2,1-5H3,(H,34,38)/t20-,21+,23+,24?,25-,26+,27-,29?,30+/m0/s1
C33H49NO7571.74476600
9730

4 of 13 defined stereocentres - 4/13 defined
InChI=1/C33H49NO7/c1-16-11-26(36)28(34-14-16)18(3)21-7-8-22-23-6-5-19-12-20(9-10-33(19,4)25(23)13-24(22)17(21)2)40-32-31(39)30(38)29(37)27(15-35)41-32/h5,7-8,16,18,20,23,25-32,34-39H,6,9-15H2,1-4H3/t16?,18-,20?,23-,25-,26?,27?,28-,29?,30?,31?,32?,33?/m0/s1
C33H49NO7571.74475400
4573240

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C33H49NO7/c1-20-25-15-34(31(35)41-32(2,3)4)33(5)19-40-30(39-16-21-9-11-22(38-8)12-10-21)24-14-13-23(28(25)29(24)33)27(18-37-7)26(20)17-36-6/h9-12,20,23-24,26-27,29-30H,13-19H2,1-8H3/t20-,23?,24+,26?,27?,29+,30?,33+/m0/s1
C33H49NO7571.74474300
60574811

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C33H49NO7/c1-23(2)11-9-15-32(6)25-21-33(16-18-34(19-17-33)30(36)41-31(3,4)5)22-39-28(25)24-12-8-13-26(29(24)40-32)38-20-10-14-27(35)37-7/h8,11-13,25,28H,9-10,14-22H2,1-7H3/t25-,28+,32-/m0/s1
C33H49NO7571.74474300
60574818

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C33H49NO7/c1-23(2)11-8-15-32(6)26-20-33(16-10-17-34(21-33)30(36)41-31(3,4)5)22-39-29(26)25-14-13-24(19-27(25)40-32)38-18-9-12-28(35)37-7/h11,13-14,19,26,29H,8-10,12,15-18,20-22H2,1-7H3/t26-,29+,32+,33-/m0/s1
C33H49NO7571.74474300
60574853

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C33H49NO7/c1-23(2)11-10-15-32(6)25-21-33(16-18-34(19-17-33)30(37)41-31(3,4)5)22-39-28(25)24-12-9-13-26(29(24)40-32)38-20-8-7-14-27(35)36/h9,11-13,25,28H,7-8,10,14-22H2,1-6H3,(H,35,36)/t25-,28+,32-/m0/s1
C33H49NO7571.74474300
60574854

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C33H49NO7/c1-23(2)11-9-15-32(6)26-20-33(16-10-17-34(21-33)30(37)41-31(3,4)5)22-39-29(26)25-14-13-24(19-27(25)40-32)38-18-8-7-12-28(35)36/h11,13-14,19,26,29H,7-10,12,15-18,20-22H2,1-6H3,(H,35,36)/t26-,29+,32+,33-/m0/s1
C33H49NO7571.74474300
60574856

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C33H49NO7/c1-23(2)10-9-14-32(6)26-21-33(15-17-34(18-16-33)30(37)41-31(3,4)5)22-39-29(26)25-13-12-24(20-27(25)40-32)38-19-8-7-11-28(35)36/h10,12-13,20,26,29H,7-9,11,14-19,21-22H2,1-6H3,(H,35,36)/t26-,29+,32-/m0/s1
C33H49NO7571.74474300
60574858

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C33H49NO7/c1-23(2)10-9-14-32(6)26-21-33(15-17-34(18-16-33)30(37)41-31(3,4)5)22-39-29(26)25-13-12-24(20-27(25)40-32)38-19-8-7-11-28(35)36/h10,12-13,20,26,29H,7-9,11,14-19,21-22H2,1-6H3,(H,35,36)/t26-,29+,32+/m0/s1
C33H49NO7571.74474300
60574836

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C33H49NO7/c1-23(2)10-8-14-32(6)26-21-33(15-17-34(18-16-33)30(36)41-31(3,4)5)22-39-29(26)25-13-12-24(20-27(25)40-32)38-19-9-11-28(35)37-7/h10,12-13,20,26,29H,8-9,11,14-19,21-22H2,1-7H3/t26-,29+,32+/m0/s1
C33H49NO7571.74473200
60574842

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C33H49NO7/c1-23(2)11-8-15-32(6)26-20-33(16-10-17-34(21-33)30(36)41-31(3,4)5)22-39-29(26)25-14-13-24(19-27(25)40-32)38-18-9-12-28(35)37-7/h11,13-14,19,26,29H,8-10,12,15-18,20-22H2,1-7H3/t26-,29+,32-,33-/m0/s1
C33H49NO7571.74473200
8658556
InChI=1/C33H49NO7/c1-3-5-7-13-19-34(20-14-8-6-4-2)33(35)27-39-28-25-40-31-17-11-9-15-29(31)37-23-21-36-22-24-38-30-16-10-12-18-32(30)41-26-28/h9-12,15-18,28H,3-8,13-14,19-27H2,1-2H3
C33H49NO7571.74473200
8897131
InChI=1/C33H49NO7/c1-4-7-13-19-34(20-14-8-5-2)32(35)25-41-33(6-3)26-39-30-17-11-9-15-28(30)37-23-21-36-22-24-38-29-16-10-12-18-31(29)40-27-33/h9-12,15-18H,4-8,13-14,19-27H2,1-3H3
C33H49NO7571.74473200
9236007
InChI=1/C33H49NO7/c1-2-3-4-5-6-7-8-9-10-15-20-34-33(35)27-39-28-25-40-31-18-13-11-16-29(31)37-23-21-36-22-24-38-30-17-12-14-19-32(30)41-26-28/h11-14,16-19,28H,2-10,15,20-27H2,1H3,(H,34,35)
C33H49NO7571.74473200
5045328

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C33H49NO7/c1-21-10-13-24(14-11-21)40-31(36)28-25-19-23(12-15-27(35)34-22(2)9-8-16-32(3,4)37)20-26(39-5)29(25)41-30(28)33(38)17-6-7-18-33/h19-22,24,37-38H,6-18H2,1-5H3,(H,34,35)
C33H49NO7571.74472100
26599990

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C33H49NO7/c1-28(2)22-8-11-33(7)25(31(22,5)10-9-23(28)41-27(40)34-18-24(36)37)21(35)16-19-20-17-30(4,26(38)39)13-12-29(20,3)14-15-32(19,33)6/h16,20,22-23,25H,8-15,17-18H2,1-7H3,(H,34,40)(H,36,37)(H,38,39)/t20-,22-,23-,25+,29+,30-,31-,32+,33+/m0/s1
C33H49NO7571.74472200
58130852

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C33H49NO7/c1-6-33(4,5)31(37)40-27-16-21(3)30(41-32(38)34-19-22-10-8-7-9-11-22)26-14-12-20(2)25(29(26)27)15-13-24-17-23(35)18-28(36)39-24/h7-11,20-21,23-27,29-30,35H,6,12-19H2,1-5H3,(H,34,38)/t20-,21+,23+,24+,25-,26+,27-,29?,30+/m0/s1
C33H49NO7571.74472200
62406043

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C33H49NO7/c1-6-33(4,5)31(37)40-27-16-21(3)30(41-32(38)34-19-22-10-8-7-9-11-22)26-14-12-20(2)25(29(26)27)15-13-24-17-23(35)18-28(36)39-24/h7-11,20-21,23-27,29-30,35H,6,12-19H2,1-5H3,(H,34,38)/t20-,21+,23+,24+,25-,26+,27-,29-,30+/m0/s1
C33H49NO7571.74472200
62406044

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C33H49NO7/c1-6-33(4,5)31(37)40-27-16-21(3)30(41-32(38)34-19-22-10-8-7-9-11-22)26-14-12-20(2)25(29(26)27)15-13-24-17-23(35)18-28(36)39-24/h7-11,20-21,23-27,29-30,35H,6,12-19H2,1-5H3,(H,34,38)/t20-,21+,23+,24-,25-,26+,27-,29-,30+/m0/s1
C33H49NO7571.74472200
12

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