Matches any text strings used to describe a molecule.
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 40 results

Search term: C42H58O6 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4444651

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23?,34-,35-,40+,41+,42-/m0/s1
C42H58O6658.9063566500
2123913
InChI=1/C42H58O6/c1-39(2,3)31-23-27(24-32(35(31)43)40(4,5)6)17-15-21-47-37(45)29-19-13-14-20-30(29)38(46)48-22-16-18-28-25-33(41(7,8)9)36(44)34(26-28)42(10,11)12/h13-14,19-20,23-26,43-44H,15-18,21-22H2,1-12H3
C42H58O6658.906319999998201400
21864745

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23-,34-,35-,40+,41+,42-/m0/s1
C42H58O6658.9063111300
103835333

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C42H58O6/c1-25(43)41(47)19-13-34-32-8-6-28-24-30(46)10-17-39(28,35(32)11-16-38(34,41)4)21-22-40-18-12-33-31(36(40)14-20-42(40,48)26(2)44)7-5-27-23-29(45)9-15-37(27,33)3/h23-24,31-36,47-48H,5-22H2,1-4H3/t31-,32+,33+,34+,35+,36+,37+,38+,39-,40-,41+,42+/m1/s1
C42H58O6658.90635500
4516336

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+
C42H58O6658.90635520995
101935828

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23?,34-,35+,40-,41+,42-/m1/s1
C42H58O6658.90633300
30797226

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23-,34+,35+,40-,41-,42+/m1/s1
C42H58O6658.90632200
30843715

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C24H34O4.C18H24O2/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26;1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h13-14,18-20H,6-12H2,1-5H3;3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,18+,19-,20-,22+,23-,24-;14-,15-,16+,17+,18+/m01/s1
C42H58O6658.90632200
31140595

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C42H58O6/c1-10-26(2)34(43)48-33-25-37(3,4)24-29-28-16-17-31-39(7)20-19-32(47-35(44)27-14-12-11-13-15-27)38(5,6)30(39)18-21-41(31,9)40(28,8)22-23-42(29,33)36(45)46/h10-16,29-33H,17-25H2,1-9H3,(H,45,46)/b26-10+/t29-,30-,31+,32-,33+,39-,40+,41+,42-/m0/s1
C42H58O6658.90632200
31140596

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C42H58O6/c1-26(2)23-34(43)47-33-25-37(3,4)24-29-28-15-16-31-39(7)19-18-32(48-35(44)27-13-11-10-12-14-27)38(5,6)30(39)17-20-41(31,9)40(28,8)21-22-42(29,33)36(45)46/h10-15,23,29-33H,16-22,24-25H2,1-9H3,(H,45,46)/t29-,30-,31+,32-,33+,39-,40+,41+,42-/m0/s1
C42H58O6658.90632200
58823996

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23u,34-,35-,40+,41+,42-/m0/s1
C42H58O6658.90632400
82827480

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23?,34-,35-,40+,41+,42-/m1/s1
C42H58O6658.90632200
8136870

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21-
C42H58O6658.90632100
8185138

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23?,34-,35-,40+,41-,42+/m0/s1
C42H58O6658.90632100
8659869

6 of 12 defined stereocentres - 6/12 defined
InChI=1/C42H58O6/c1-39-19-15-27(23-25(39)5-7-29-31-9-11-35(43)41(31,3)21-17-33(29)39)47-37(45)13-14-38(46)48-28-16-20-40(2)26(24-28)6-8-30-32-10-12-36(44)42(32,4)22-18-34(30)40/h5-6,27-34H,7-24H2,1-4H3/t27-,28-,29?,30?,31?,32?,33?,34?,39-,40-,41-,42-/m0/s1
C42H58O6658.90632100
9368205

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C42H58O6/c1-30(39(45-28-36-19-13-9-14-20-36)34(5)41-32(3)26-47-42(6,7)48-41)23-24-38(43)33(4)40(46-29-37-21-15-10-16-22-37)31(2)25-44-27-35-17-11-8-12-18-35/h8-22,30-34,39-41H,23-29H2,1-7H3/t30-,31+,32-,33-,34-,39-,40+,41-/m0/s1
C42H58O6658.90632100
4476280

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C42H58O6/c1-28(18-14-20-30(3)32(5)22-36-37(45)23-35(47-33(6)43)26-39(36,7)8)16-12-13-17-29(2)19-15-21-31(4)38(46)27-42-40(9,10)24-34(44)25-41(42,11)48-42/h12-21,34-35,37,44-45H,23-27H2,1-11H3/b13-12+,18-14+,19-15-,28-16+,29-17-,30-20+,31-21+/t22?,34-,35?,37+,41+,42-/m0/s1
C42H58O6658.90632200
113296

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C42H58O6/c1-37(2,29-15-17-31-27(25-29)13-19-33-39(31,5)21-11-23-41(33,7)35(43)45-9)47-48-38(3,4)30-16-18-32-28(26-30)14-20-34-40(32,6)22-12-24-42(34,8)36(44)46-10/h15-18,25-26,33-34H,11-14,19-24H2,1-10H3
C42H58O6658.90632200
166162

6 of 12 defined stereocentres - 6/12 defined
InChI=1/C42H58O6/c1-39-19-15-27(43)23-25(39)5-7-29-31-9-11-35(41(31,3)21-17-33(29)39)47-37(45)13-14-38(46)48-36-12-10-32-30-8-6-26-24-28(44)16-20-40(26,2)34(30)18-22-42(32,36)4/h23-24,29-36H,5-22H2,1-4H3/t29?,30?,31?,32?,33?,34?,35-,36-,39-,40-,41-,42-/m0/s1
C42H58O6658.90632200
471580

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3
C42H58O6658.90632100
12

Advertisement