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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 27 results

Search term: C38H58O11 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
81422606

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C38H58O11/c1-11-29-26(7)31(47-33(41)16-15-32(39)40)20-38(45,49-29)28(9)35(43)27(8)36-30(46-10)14-12-13-21(2)17-23(4)34(42)24(5)18-22(3)19-25(6)37(44)48-36/h12-16,18-19,23-24,26-31,34-36,42-43,45H,11,17,20H2,1-10H3,(H,39,40)/b14-12+,16-15+,21-13+,22-18-,25-19-/t23-,24+,26-,27-,28-,29+,30-,31+,34-,35+,36+,38+/m0/s1
C38H58O11690.86055400
73962423

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C38H58O11/c1-11-29-26(7)31(47-33(41)16-15-32(39)40)20-38(45,49-29)28(9)35(43)27(8)36-30(46-10)14-12-13-21(2)17-23(4)34(42)24(5)18-22(3)19-25(6)37(44)48-36/h12-16,18-19,23-24,26-31,34-36,42-43,45H,11,17,20H2,1-10H3,(H,39,40)/b14-12?,16-15+,21-13+,22-18-,25-19-/t23-,24+,26-,27-,28-,29+,30-,31+,34-,35+,36+,38+/m0/s1
C38H58O11690.86054400
76714591

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C38H58O11/c1-11-29-26(7)31(47-33(41)16-15-32(39)40)20-38(45,49-29)28(9)35(43)27(8)36-30(46-10)14-12-13-21(2)17-23(4)34(42)24(5)18-22(3)19-25(6)37(44)48-36/h12-16,18-19,23-24,26-31,34-36,42-43,45H,11,17,20H2,1-10H3,(H,39,40)/b14-12?,16-15+,21-13+,22-18?,25-19-/t23-,24+,26-,27-,28-,29+,30-,31+,34-,35+,36+,38+/m0/s1
C38H58O11690.86054400
111307875

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C38H58O11/c1-11-29-26(7)31(47-33(41)16-15-32(39)40)20-38(45,49-29)28(9)35(43)27(8)36-30(46-10)14-12-13-21(2)17-23(4)34(42)24(5)18-22(3)19-25(6)37(44)48-36/h12-16,18-19,23-24,26-31,34-36,42-43,45H,11,17,20H2,1-10H3,(H,39,40)/b14-12-,16-15+,21-13-,22-18-,25-19-/t23-,24+,26-,27-,28-,29+,30-,31+,34-,35+,36+,38+/m0/s1
C38H58O11690.86054400
9083874

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C38H58O11/c1-21(39)46-20-36(8)28-18-31(49-24(4)42)38(45)19-33(5)15-12-26-34(6,17-14-30(48-23(3)41)37(26,9)32(43)44)25(33)10-11-27(38)35(28,7)16-13-29(36)47-22(2)40/h25-31,45H,10-20H2,1-9H3,(H,43,44)/t25-,26+,27+,28+,29+,30-,31-,33-,34+,35+,36+,37+,38+/m0/s1
C38H58O11690.86054300
7985957

0 of 16 defined stereocentres - 0/16 defined
InChI=1/C38H58O11/c1-18-17-46-33(45)38-13-12-36(6)20(27(38)22(41)14-21(18)38)8-9-26-35(5)15-23(47-19(2)40)31(34(3,4)25(35)10-11-37(26,36)7)49-32-30(44)29(43)28(42)24(16-39)48-32/h18,21,23-26,28-33,39,42-45H,8-17H2,1-7H3
C38H58O11690.86053200
8547927

Double-bond stereo

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C38H58O11/c1-11-29-26(7)31(47-33(41)16-15-32(39)40)20-38(45,49-29)28(9)35(43)27(8)36-30(46-10)14-12-13-21(2)17-23(4)34(42)24(5)18-22(3)19-25(6)37(44)48-36/h12-16,18-19,23-24,26-31,34-36,42-43,45H,11,17,20H2,1-10H3,(H,39,40)/b14-12+,16-15+,21-13+,22-18+,25-19+
C38H58O11690.86052100
8755875

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C38H58O11/c1-5-6-13-20-26-21-16-10-8-7-9-11-17-22-28(39)45-32-29(40)36(44-27-23-41-35(46-31(27)32)25-18-14-12-15-19-25)47-34-33-30(48-38(3,4)49-33)24(2)42-37(34)43-26/h12,14-15,18-19,24,26-27,29-37,40H,5-11,13,16-17,20-23H2,1-4H3/t24-,26+,27-,29-,30+,31-,32-,33+,34-,35-,36+,37+/m1/s1
C38H58O11690.86052100
8755876

15 of 16 defined stereocentres - 15/16 defined
InChI=1/C38H58O11/c1-18(15-20(46-19(2)40)31-34(5,6)49-31)25-27(42)30(45)36(8)23-10-9-22-33(3,4)24(48-32-29(44)28(43)26(41)21(16-39)47-32)11-12-37(22)17-38(23,37)14-13-35(25,36)7/h10,18,20-22,24-26,28-32,39,41,43-45H,9,11-17H2,1-8H3/t18-,20-,21-,22?,24+,25+,26+,28+,29-,30+,31+,32+,35-,36-,37-,38+/m1/s1
C38H58O11690.86052100
8898654

17 of 19 defined stereocentres - 17/19 defined
InChI=1/C38H58O11/c1-18-13-38(30-35(7,48-30)31(43-8)49-38)47-21-14-33(5)23-10-9-22-32(3,4)24(46-29-28(42)27(41)20(40)16-44-29)11-12-36(22)17-37(23,36)15-25(45-19(2)39)34(33,6)26(18)21/h18,20-31,40-42H,9-17H2,1-8H3/t18-,20-,21+,22?,23?,24+,25-,26+,27+,28-,29+,30-,31+,33+,34-,35+,36-,37+,38-/m1/s1
C38H58O11690.86052100
8993715

17 of 19 defined stereocentres - 17/19 defined
InChI=1/C38H58O11/c1-18-13-38(30-35(7,48-30)31(43-8)49-38)47-21-14-33(5)23-10-9-22-32(3,4)24(46-29-28(42)27(41)20(40)16-44-29)11-12-36(22)17-37(23,36)15-25(45-19(2)39)34(33,6)26(18)21/h18,20-31,40-42H,9-17H2,1-8H3/t18-,20-,21+,22?,23?,24+,25-,26+,27+,28-,29+,30-,31-,33+,34-,35+,36-,37+,38-/m1/s1
C38H58O11690.86052100
9017650

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C38H58O11/c1-5-6-13-20-26-21-16-10-8-7-9-11-17-22-28(39)45-32-29(40)31-27(23-41-35(46-31)25-18-14-12-15-19-25)44-36(32)47-34-33-30(48-38(3,4)49-33)24(2)42-37(34)43-26/h12,14-15,18-19,24,26-27,29-37,40H,5-11,13,16-17,20-23H2,1-4H3/t24-,26+,27-,29+,30+,31-,32-,33+,34-,35-,36+,37+/m1/s1
C38H58O11690.86052100
9333352

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C38H58O11/c1-19(2)32(40)46-28-29(47-33(41)20(3)4)31(48-34(42)21(5)6)36(49-30(28)35(43)44-9)45-23-14-16-37(7)22(18-23)10-11-24-25-12-13-27(39)38(25,8)17-15-26(24)37/h19-26,28-31,36H,10-18H2,1-9H3/t22-,23+,24-,25-,26-,28-,29-,30-,31+,36+,37-,38-/m0/s1
C38H58O11690.86052100
9402823

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C38H58O11/c1-19(2)32(40)46-28-29(47-33(41)20(3)4)31(48-34(42)21(5)6)36(49-30(28)35(43)44-9)45-23-14-16-37(7)22(18-23)10-11-24-25-12-13-27(39)38(25,8)17-15-26(24)37/h19-26,28-31,36H,10-18H2,1-9H3/t22-,23-,24-,25-,26-,28-,29-,30-,31+,36+,37-,38-/m0/s1
C38H58O11690.86052100
9529412

9 of 16 defined stereocentres - 9/16 defined
InChI=1/C38H58O11/c1-18-17-46-33(45)38-13-12-36(6)20(27(38)22(41)14-21(18)38)8-9-26-35(5)15-23(47-19(2)40)31(34(3,4)25(35)10-11-37(26,36)7)49-32-30(44)29(43)28(42)24(16-39)48-32/h18,21,23-26,28-33,39,42-45H,8-17H2,1-7H3/t18?,21?,23?,24-,25?,26-,28-,29+,30-,31?,32+,33?,35+,36-,37-,38?/m1/s1
C38H58O11690.86052100
29214339

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C38H58O11/c1-21(19-45-35-33(43)34(49-24(4)41)30(20-46-35)47-22(2)39)8-13-32(48-23(3)40)38(7,44)31-12-11-28-27-10-9-25-18-26(42)14-16-36(25,5)29(27)15-17-37(28,31)6/h18,21,27-35,43-44H,8-17,19-20H2,1-7H3/t21-,27-,28-,29-,30-,31-,32+,33-,34-,35-,36-,37-,38+/m0/s1
C38H58O11690.86052200
29214340

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C38H58O11/c1-21(19-45-35-34(49-24(4)41)33(43)30(20-46-35)47-22(2)39)8-13-32(48-23(3)40)38(7,44)31-12-11-28-27-10-9-25-18-26(42)14-16-36(25,5)29(27)15-17-37(28,31)6/h18,21,27-35,43-44H,8-17,19-20H2,1-7H3/t21-,27-,28-,29-,30-,31-,32+,33-,34-,35-,36-,37-,38+/m0/s1
C38H58O11690.86052200
4417555

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C38H58O11/c1-5-6-13-20-26-21-16-10-8-7-9-11-17-22-28(39)45-32-29(40)36(44-27-23-41-35(46-31(27)32)25-18-14-12-15-19-25)47-34-33-30(48-38(3,4)49-33)24(2)42-37(34)43-26/h12,14-15,18-19,24,26-27,29-37,40H,5-11,13,16-17,20-23H2,1-4H3
C38H58O11690.8605199999982100
76790267

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C38H58O11/c1-18-15-20(31(34(5,6)45)46-19(2)40)47-29-25(18)35(7)13-14-38-17-37(38)12-11-24(49-32-28(43)27(42)26(41)21(16-39)48-32)33(3,4)22(37)9-10-23(38)36(35,8)30(29)44/h10,18,20-22,24,26-28,30-32,39,41-45H,9,11-17H2,1-8H3/t18-,20-,21-,22+,24+,26+,27+,28-,30-,31-,32+,35-,36-,37-,38+/m1/s1
C38H58O11690.86052200
103846892

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C38H58O11/c1-11-29-26(7)31(47-33(41)16-15-32(39)40)20-38(45,49-29)28(9)35(43)27(8)36-30(46-10)14-12-13-21(2)17-23(4)34(42)24(5)18-22(3)19-25(6)37(44)48-36/h12-16,18-19,23-24,26-31,34-36,42-43,45H,11,17,20H2,1-10H3,(H,39,40)/b14-12+,16-15+,21-13+,22-18+,25-19+/t23-,24+,26-,27-,28-,29+,30-,31+,34-,35+,36+,38+/m0/s1
C38H58O11690.86052200
12

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