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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 62 results

Search term: C36H60O7 (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24534149

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C36H60O7/c1-20(2)10-9-11-21(3)22-12-16-36(8)28(22)23(38)18-26-34(6)15-14-27(33(4,5)25(34)13-17-35(26,36)7)43-32-31(41)30(40)29(39)24(19-37)42-32/h10,22-32,37-41H,3,9,11-19H2,1-2,4-8H3/t22-,23-,24-,25+,26-,27+,28+,29-,30+,31-,32+,34+,35-,36-/m1/s1
C36H60O7604.8574313200
20143877

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C36H60O7/c1-20(2)10-9-11-21(3)22-12-16-36(8)28(22)23(38)18-26-34(6)15-14-27(33(4,5)25(34)13-17-35(26,36)7)43-32-31(41)30(40)29(39)24(19-37)42-32/h10-11,22-32,37-41H,9,12-19H2,1-8H3/b21-11-/t22-,23-,24-,25+,26-,27+,28+,29-,30+,31-,32+,34+,35-,36-/m1/s1
C36H60O7604.8574303000
57620804

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C36H60O7/c1-20(2)10-9-11-21(3)22-12-16-36(8)28(22)23(38)18-26-34(6)15-14-27(33(4,5)25(34)13-17-35(26,36)7)43-32-31(41)30(40)29(39)24(19-37)42-32/h10-11,22-32,37-41H,9,12-19H2,1-8H3/b21-11+/t22-,23-,24-,25+,26-,27+,28+,29-,30+,31-,32+,34+,35-,36-/m1/s1
C36H60O7604.8574131200
157458

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C36H60O7/c1-20(2)11-10-12-21(3)28-24(37)18-36(8)31-26(41-9)17-23-22(34(31,6)15-16-35(28,36)7)13-14-27(33(23,4)5)43-32-30(40)29(39)25(38)19-42-32/h11,17,21-22,24-32,37-40H,10,12-16,18-19H2,1-9H3/t21-,22+,24-,25-,26-,27?,28+,29+,30-,31?,32+,34-,35-,36+/m1/s1
C36H60O7604.85743300
4943484

Double-bond stereo

11 of 14 defined stereocentres - 11/14 defined
InChI=1/C36H60O7/c1-20(2)10-9-11-21(3)22-12-16-36(8)28(22)23(38)18-26-34(6)15-14-27(33(4,5)25(34)13-17-35(26,36)7)43-32-31(41)30(40)29(39)24(19-37)42-32/h10-11,22-32,37-41H,9,12-19H2,1-8H3/b21-11-/t22-,23+,24-,25?,26?,27?,28+,29-,30+,31-,32+,34+,35-,36+/m1/s1
C36H60O7604.85742200
8092470

Double-bond stereo

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C36H60O7/c1-20(2)33-27(9)26(8)19-36(40,43-33)29(11)32(38)28(10)34-30(41-12)15-13-14-21(3)16-23(5)31(37)24(6)17-22(4)18-25(7)35(39)42-34/h13-15,17-18,20,23-24,26-34,37-38,40H,16,19H2,1-12H3/b15-13+,21-14+,22-17+,25-18+
C36H60O7604.85742100
8591642

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C36H60O7/c1-20(30-31(41-22(3)40-30)21(2)32(4,5)19-37)24-10-11-25-23-17-36(38-14-15-39-36)29-16-27-28(43-33(6,7)42-27)18-35(29,9)26(23)12-13-34(24,25)8/h20-31,37H,10-19H2,1-9H3/t20-,21+,22?,23-,24+,25-,26-,27-,28+,29-,30+,31+,34+,35+/m0/s1
C36H60O7604.85742100
8754925

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C36H60O7/c1-4-5-6-7-8-9-10-15-20-31(40-28-37-2)33-22-24-35(42-33)36-25-23-34(43-36)32(41-29-38-3)21-16-12-17-26-39-27-30-18-13-11-14-19-30/h11,13-14,16,18-19,21,31-36H,4-10,12,15,17,20,22-29H2,1-3H3/b21-16+/t31-,32-,33-,34-,35-,36-/m1/s1
C36H60O7604.85742100
8779073

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C36H60O7/c1-4-5-6-7-8-9-10-15-20-31(40-28-37-2)33-22-24-35(42-33)36-25-23-34(43-36)32(41-29-38-3)21-16-12-17-26-39-27-30-18-13-11-14-19-30/h11,13-14,16,18-19,21,31-36H,4-10,12,15,17,20,22-29H2,1-3H3/b21-16+/t31-,32-,33-,34-,35+,36-/m1/s1
C36H60O7604.85742100
9817657

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C36H60O7/c1-20(2)16-28(38)43-27-12-13-33(7)24-11-14-35-19-36(35,34(24,8)26(37)18-25(33)31(27,3)4)15-10-22(35)21-17-23(42-30(21)41-9)29(39)32(5,6)40/h20-27,29-30,37,39-40H,10-19H2,1-9H3/t21-,22-,23+,24+,25-,26+,27+,29-,30-,33+,34-,35+,36+/m0/s1
C36H60O7604.85742100
9832039

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C36H60O7/c1-20(2)16-28(38)43-27-12-13-33(7)24-11-14-35-19-36(35,34(24,8)26(37)18-25(33)31(27,3)4)15-10-22(35)21-17-23(42-30(21)41-9)29(39)32(5,6)40/h20-27,29-30,37,39-40H,10-19H2,1-9H3/t21-,22-,23+,24+,25-,26+,27+,29-,30+,33+,34-,35+,36+/m0/s1
C36H60O7604.85742100
23297661

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C36H60O7/c1-20(2)21-10-15-36(19-38)17-16-34(6)22(27(21)36)8-9-25-33(5)13-12-26(32(3,4)24(33)11-14-35(25,34)7)43-31-30(41)29(40)28(39)23(18-37)42-31/h21-31,37-41H,1,8-19H2,2-7H3/t21-,22+,23+,24-,25+,26-,27+,28+,29-,30+,31-,33-,34+,35+,36+/m0/s1
C36H60O7604.85742200
23297665

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C36H60O7/c1-20(2)21-10-15-36(19-38)17-16-34(6)22(27(21)36)8-9-25-33(5)13-12-26(32(3,4)24(33)11-14-35(25,34)7)43-31-30(41)29(40)28(39)23(18-37)42-31/h21-31,37-41H,1,8-19H2,2-7H3/t21-,22+,23+,24-,25+,26-,27+,28-,29-,30+,31-,33-,34+,35+,36+/m0/s1
C36H60O7604.85742200
23297667

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C36H60O7/c1-20(2)21-10-15-36(19-38)17-16-34(6)22(27(21)36)8-9-25-33(5)13-12-26(32(3,4)24(33)11-14-35(25,34)7)43-31-30(41)29(40)28(39)23(18-37)42-31/h21-31,37-41H,1,8-19H2,2-7H3/t21-,22+,23+,24-,25+,26-,27+,28+,29-,30-,31+,33-,34+,35+,36+/m0/s1
C36H60O7604.85742200
23297678

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C36H60O7/c1-31(2)14-16-36-17-15-34(6)20(25(36)29(31)41-19-36)8-9-23-33(5)12-11-24(32(3,4)22(33)10-13-35(23,34)7)43-30-28(40)27(39)26(38)21(18-37)42-30/h20-30,37-40H,8-19H2,1-7H3/t20-,21-,22+,23-,24+,25+,26-,27+,28-,29+,30+,33+,34-,35-,36-/m1/s1
C36H60O7604.85742200
23297681

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C36H60O7/c1-31(2)14-16-36-17-15-34(6)20(25(36)29(31)41-19-36)8-9-23-33(5)12-11-24(32(3,4)22(33)10-13-35(23,34)7)43-30-28(40)27(39)26(38)21(18-37)42-30/h20-30,37-40H,8-19H2,1-7H3/t20-,21-,22+,23-,24+,25+,26+,27+,28-,29+,30+,33+,34-,35-,36-/m1/s1
C36H60O7604.85742200
23297684

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C36H60O7/c1-31(2)14-16-36-17-15-34(6)20(25(36)29(31)41-19-36)8-9-23-33(5)12-11-24(32(3,4)22(33)10-13-35(23,34)7)43-30-28(40)27(39)26(38)21(18-37)42-30/h20-30,37-40H,8-19H2,1-7H3/t20-,21-,22+,23-,24+,25+,26-,27+,28+,29+,30-,33+,34-,35-,36-/m1/s1
C36H60O7604.85742200
24620684

0 of 15 defined stereocentres - 0/15 defined
InChI=1/C36H60O7/c1-20(2)21-10-15-36(19-42-31-30(41)29(40)28(39)23(18-37)43-31)17-16-34(6)22(27(21)36)8-9-25-33(5)13-12-26(38)32(3,4)24(33)11-14-35(25,34)7/h21-31,37-41H,1,8-19H2,2-7H3/t21-,22+,23+,24-,25+,26-,27+,28+,29-,30+,31+,33-,34+,35+,36+/m0/s1
C36H60O7604.85742200
24686857

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C36H60O7/c1-30(2,29(40)41)20-26(39)42-25-13-16-33(7)24-18-22(37)27-21(36(10)15-11-14-31(3,4)43-36)12-17-34(27,8)35(24,9)19-23(38)28(33)32(25,5)6/h21-25,27-28,37-38H,11-20H2,1-10H3,(H,40,41)/t21-,22+,23-,24+,25-,27-,28-,33+,34+,35+,36+/m0/s1
C36H60O7604.85742200
24713842

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C36H60O7/c1-30(2,29(40)41)20-26(39)42-23-19-35(9)24(33(7)16-13-25(38)32(5,6)28(23)33)18-22(37)27-21(12-17-34(27,35)8)36(10)15-11-14-31(3,4)43-36/h21-25,27-28,37-38H,11-20H2,1-10H3,(H,40,41)/t21-,22+,23-,24+,25-,27-,28-,33+,34+,35+,36+/m0/s1
C36H60O7604.85742200
1234

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