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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 18 results

Search term: C40H58O3 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4280698
InChI=1/C40H58O3/c1-36(2,3)28-22-26(16-24-18-29(37(4,5)6)34(42)30(19-24)38(7,8)9)33(41)27(23-28)17-25-20-31(39(10,11)12)35(43)32(21-25)40(13,14)15/h18-23,41-43H,16-17H2,1-15H3
C40H58O3586.88671999999711600
11657470

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H58O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-33-42-34-39(41)35-43-40(36-27-20-17-21-28-36,37-29-22-18-23-30-37)38-31-24-19-25-32-38/h17-25,27-32,39,41H,2-16,26,33-35H2,1H3
C40H58O3586.88678900
17220976

Double-bond stereo
InChI=1/C40H58O3/c1-32(20-13-22-34(3)24-15-26-36(5)28-17-31-39(7,8)42)18-11-12-19-33(2)21-14-23-35(4)25-16-27-37(6)29-30-38(41)40(9,10)43/h11-14,16,18-23,25-27,29-30,42-43H,15,17,24,28,31H2,1-10H3/b12-11+,20-13+,21-14+,25-16+,30-29+,32-18+,33-19+,34-22+,35-23+,36-26+,37-27+
C40H58O3586.88674400
4952663

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C40H58O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34-35,37,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
C40H58O3586.88674710
474770
InChI=1/C40H58O3/c1-36(2,3)28-19-24(16-25-20-29(37(4,5)6)34(42)30(21-25)38(7,8)9)17-27(33(28)41)18-26-22-31(39(10,11)12)35(43)32(23-26)40(13,14)15/h17,19-23,41-43H,16,18H2,1-15H3
C40H58O3586.88674500
10475685

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C40H58O3/c1-29(16-12-17-31(3)20-22-37-32(4)24-35(42)26-39(37,6)7)14-10-11-15-30(2)18-13-19-34(28-41)21-23-38-33(5)25-36(43)27-40(38,8)9/h10-20,22,25,35-36,38,41-43H,21,23-24,26-28H2,1-9H3/b11-10+,16-12+,18-13+,22-20+,29-14+,30-15+,31-17+,34-19-/t35-,36+,38+/m1/s1
C40H58O3586.88674400
59696246

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C40H58O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37-39(8,9)27-35(42)28-40(37,10)43/h11-24,34-35,37,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,35+,37?,40-/m1/s1
C40H58O3586.88673300
8184102

Double-bond stereo

5 of 9 defined stereocentres - 5/9 defined
InChI=1/C40H58O3/c1-26(2)27(3)9-10-28(4)31-19-21-38(8)33-17-16-32-36(5,6)34(43-35(42)18-13-29-11-14-30(41)15-12-29)20-22-39(32)25-40(33,39)24-23-37(31,38)7/h11-15,18,26,28,31-34,41H,3,9-10,16-17,19-25H2,1-2,4-8H3/b18-13-/t28?,31?,32?,33?,34-,37+,38-,39+,40-/m0/s1
C40H58O3586.88672100
9192562

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C40H58O3/c1-35-16-11-24(21-25(35)7-9-27-30(35)12-17-37(3)32(27)14-19-39(37,5)42)29-23-36(2)26(22-34(29)41)8-10-28-31(36)13-18-38(4)33(28)15-20-40(38,6)43/h21-22,27-28,30-33,42-43H,7-20,23H2,1-6H3/b29-24-/t27-,28-,30+,31+,32+,33+,35+,36+,37+,38+,39+,40+/m1/s1
C40H58O3586.88672100
9257637

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C40H58O3/c1-35-16-11-24(21-25(35)7-9-27-30(35)12-17-37(3)32(27)14-19-39(37,5)42)29-23-36(2)26(22-34(29)41)8-10-28-31(36)13-18-38(4)33(28)15-20-40(38,6)43/h21-22,27-28,30-33,42-43H,7-20,23H2,1-6H3/b29-24+/t27-,28-,30+,31+,32+,33+,35+,36+,37+,38+,39+,40+/m1/s1
C40H58O3586.88672100
23621471

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C40H58O3/c1-25(2)27-11-15-31-29(23-27)13-17-33-37(31,5)19-9-21-39(33,7)35(41)43-36(42)40(8)22-10-20-38(6)32-16-12-28(26(3)4)24-30(32)14-18-34(38)40/h13-14,23-26,31-34H,9-12,15-22H2,1-8H3/t31-,32-,33+,34+,37+,38+,39+,40+/m0/s1
C40H58O3586.88672200
24536035
InChI=1/C40H58O3/c1-5-9-12-15-18-21-30-41-38-33-37(29-28-36-26-24-35(8-4)25-27-36)34-39(42-31-22-19-16-13-10-6-2)40(38)43-32-23-20-17-14-11-7-3/h4,24-27,33-34H,5-7,9-23,30-32H2,1-3H3
C40H58O3586.88671100
24607922

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C40H58O3/c1-30(19-13-20-32(3)23-28-40(42)37(7,8)25-16-27-39(40,10)41)17-11-12-18-31(2)21-14-22-33(4)34-29-35-36(5,6)24-15-26-38(35,9)43-34/h11-14,17-23,28-29,34,41-42H,15-16,24-27H2,1-10H3/b12-11+,19-13+,21-14+,28-23+,30-17+,31-18+,32-20+,33-22+/t34?,38-,39-,40+/m1/s1
C40H58O3586.88671100
28284217

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C40H58O3/c1-30(18-13-20-32(3)22-23-36-34(5)28-35(41)29-37(36,6)7)16-11-12-17-31(2)19-14-21-33(4)24-27-40(43)38(8,9)25-15-26-39(40,10)42/h11-14,16-24,27,35,41-43H,15,25-26,28-29H2,1-10H3/b12-11+,18-13+,19-14+,23-22+,27-24+,30-16+,31-17+,32-20+,33-21+/t35-,39-,40+/m1/s1
C40H58O3586.88671100
115266934

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H58O3/c1-31(19-13-21-33(3)24-26-36-35(5)23-15-28-38(36,6)7)17-11-12-18-32(2)20-14-22-34(4)25-27-37(41)40(10,43)30-16-29-39(8,9)42/h11-14,17-22,24-27,42-43H,15-16,23,28-30H2,1-10H3/b12-11+,19-13+,20-14+,26-24+,27-25+,31-17+,32-18+,33-21+,34-22+
C40H58O3586.88671100
115270605

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C40H58O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37-39(8,9)27-35(42)28-40(37,10)43/h11-24,34-35,37,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
C40H58O3586.88671100
120331263

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C40H58O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34-35,37,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14u,23-21u,24-22+,29-15u,30-16u,31-19u,32-20u
C40H58O3586.88671100

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