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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 17 results

Search term: C37H46O5 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
32697491

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C37H46O5/c1-34(2,3)22-13-15-28(24(19-22)30-25-20-23(35(4,5)6)14-16-29(25)42-33(30)40)41-32(39)21-17-26(36(7,8)9)31(38)27(18-21)37(10,11)12/h13-20,30,38H,1-12H3
C37H46O5570.758181000
10474030

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C37H46O5/c1-25(15-16-32-27(3)20-29(38)22-34(32,4)5)13-11-9-10-12-14-26(2)19-31-21-28(33(40)41-31)17-18-37-35(6,7)23-30(39)24-36(37,8)42-37/h9-14,17-19,21,29-30,38-39H,20,22-24H2,1-8H3/b11-9+,12-10+,18-17+,25-13+,26-14+,31-19-
C37H46O5570.75814400
24607936

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C37H46O5/c1-25(15-16-32-27(3)20-29(38)22-34(32,4)5)13-11-9-10-12-14-26(2)19-31-21-28(33(40)41-31)17-18-37-35(6,7)23-30(39)24-36(37,8)42-37/h9-14,17-19,21,29-30,38-39H,20,22-24H2,1-8H3/b11-9+,12-10+,18-17+,25-13+,26-14+,31-19-/t29-,30+,36-,37+/m1/s1
C37H46O5570.75814400
10480950

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C37H46O5/c1-24(15-16-31-26(3)18-27(38)21-35(31,4)5)13-11-9-10-12-14-25(2)17-29-19-30(34(40)41-29)32-20-33-36(6,7)22-28(39)23-37(33,8)42-32/h9-14,17,19-20,27-28,32,38-39H,18,21-23H2,1-8H3/b11-9+,12-10+,24-13+,25-14+,29-17-/t27-,28+,32?,37-/m1/s1
C37H46O5570.75813300
8849941

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C37H46O5/c1-37-24-31(26-12-10-25(11-13-26)7-6-20-38)36-29-17-15-28(41-34-8-2-4-21-39-34)23-27(29)14-16-30(36)32(37)18-19-33(37)42-35-9-3-5-22-40-35/h10-13,15,17,23,30-36,38H,2-5,8-9,14,16,18-22,24H2,1H3/t30-,31+,32-,33-,34?,35?,36+,37-/m0/s1
C37H46O5570.75812100
9236000

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C37H46O5/c1-24-30(38)21-27-20-29-28(18-13-19-31(29)42-35(39)36(2,3)4)33(40-22-25-14-9-7-10-15-25)34(32(24)37(27,5)6)41-23-26-16-11-8-12-17-26/h7-12,14-17,27,31,33-34H,13,18-23H2,1-6H3/t27-,31-,33-,34-/m1/s1
C37H46O5570.75812100
9321322

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C37H46O5/c1-24-30(38)21-27-20-29-28(18-13-19-31(29)42-35(39)36(2,3)4)33(40-22-25-14-9-7-10-15-25)34(32(24)37(27,5)6)41-23-26-16-11-8-12-17-26/h7-12,14-17,27,31,33-34H,13,18-23H2,1-6H3/t27-,31-,33+,34-/m1/s1
C37H46O5570.75812100
9664820

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C37H46O5/c1-2-3-4-14-22-34(40-28-31-18-10-6-11-19-31)36-24-15-23-33(39-27-30-16-8-5-9-17-30)35(25-26-37(38)42-36)41-29-32-20-12-7-13-21-32/h5-13,15-21,23,33-36H,2-4,14,22,24-29H2,1H3/b23-15+/t33-,34+,35-,36+/m1/s1
C37H46O5570.75812100
9928120

4 of 10 defined stereocentres - 4/10 defined
InChI=1/C37H46O5/c1-36-17-15-27-25-9-5-23(19-21(25)3-7-29(27)31(36)11-13-33(36)38)41-35(40)42-24-6-10-26-22(20-24)4-8-30-28(26)16-18-37(2)32(30)12-14-34(37)39/h5-6,9-10,19-20,27-34,38-39H,3-4,7-8,11-18H2,1-2H3/t27?,28?,29?,30?,31?,32?,33-,34-,36-,37-/m0/s1
C37H46O5570.75812100
74886428

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C37H46O5/c1-25(15-16-32-27(3)20-29(38)22-34(32,4)5)13-11-9-10-12-14-26(2)19-31-21-28(33(40)41-31)17-18-37-35(6,7)23-30(39)24-36(37,8)42-37/h9-14,17-19,21,29-30,38-39H,20,22-24H2,1-8H3/b11-9+,12-10-,18-17-,25-13+,26-14+,31-19-
C37H46O5570.75812200
76790629

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C37H46O5/c1-24-26-12-13-29-35(4,27(26)20-28(38)31(24)39)17-19-37(6)30-21-34(3,15-14-33(30,2)16-18-36(29,37)5)32(40)42-23-41-22-25-10-8-7-9-11-25/h7-13,20,30,39H,14-19,21-23H2,1-6H3/t30-,33-,34-,35+,36-,37+/m1/s1
C37H46O5570.75812200
95747070
InChI=1/C37H46O5/c1-34(2,3)22-13-15-28(24(19-22)30-25-20-23(35(4,5)6)14-16-29(25)42-33(30)40)41-32(39)21-17-26(36(7,8)9)31(38)27(18-21)37(10,11)12/h13-20,38,40H,1-12H3
C37H46O5570.75811100
128732461

Double-bond stereo
InChI=1/C37H46O5/c1-24(2)11-9-13-26(5)15-17-28-19-32(41-8)23-33(35(28)38)34-22-30-21-31(40-7)20-29(36(30)42-37(34)39)18-16-27(6)14-10-12-25(3)4/h11-12,15-16,19-23,38H,9-10,13-14,17-18H2,1-8H3/b26-15+,27-16+
C37H46O5570.75811100
34983693

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C37H46O5/c1-34(2,3)22-13-15-28(24(19-22)30-25-20-23(35(4,5)6)14-16-29(25)42-33(30)40)41-32(39)21-17-26(36(7,8)9)31(38)27(18-21)37(10,11)12/h13-20,30,38H,1-12H3/t30-/m1/s1
C37H46O5570.75811100
34983694

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C37H46O5/c1-34(2,3)22-13-15-28(24(19-22)30-25-20-23(35(4,5)6)14-16-29(25)42-33(30)40)41-32(39)21-17-26(36(7,8)9)31(38)27(18-21)37(10,11)12/h13-20,30,38H,1-12H3/t30-/m0/s1
C37H46O5570.75811100
35013998

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C37H46O5/c1-25(15-16-32-27(3)20-29(38)22-34(32,4)5)13-11-9-10-12-14-26(2)19-31-21-28(33(40)41-31)17-18-37-35(6,7)23-30(39)24-36(37,8)42-37/h9-14,17-19,21,29-30,38-39H,20,22-24H2,1-8H3/b11-9+,12-10-,18-17+,25-13+,26-14+,31-19-
C37H46O5570.75811100
26582483

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C37H46O5/c1-23(2)29-18-31(24(3)4)35(32(19-29)25(5)6)26(7)42-34-20-30(21-40-36(38)27-14-10-8-11-15-27)33(34)22-41-37(39)28-16-12-9-13-17-28/h8-19,23-26,30,33-34H,20-22H2,1-7H3/t26-,30-,33-,34+/m1/s1
C37H46O5570.75811200

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