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 14 results

Search term: WHJRAYUHVRYTTH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
32055481

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C30H37NO7/c1-15-10-9-13-20-23(33)17(3)16(2)22-21(14-19-11-7-6-8-12-19)31-28(35)30(20,22)27(37-18(4)32)24-26(38-24)29(5,36)25(15)34/h6-9,11-13,15-16,20-24,26-27,33,36H,3,10,14H2,1-2,4-5H3,(H,31,35)/b13-9+/t15-,16+,20-,21-,22-,23+,24+,26+,27+,29-,30-/m0/s1
C30H37NO7523.6173111000
62995571

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C30H37NO7/c1-15-10-9-13-20-23(33)17(3)16(2)22-21(14-19-11-7-6-8-12-19)31-28(35)30(20,22)27(37-18(4)32)24-26(38-24)29(5,36)25(15)34/h6-9,11-13,15-16,20-24,26-27,33,36H,3,10,14H2,1-2,4-5H3,(H,31,35)/b13-9-/t15-,16+,20-,21-,22-,23+,24+,26+,27+,29-,30-/m0/s1
C30H37NO7523.61736600
32819199

Double-bond stereo

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C30H37NO7/c1-15-10-9-13-20-23(33)17(3)16(2)22-21(14-19-11-7-6-8-12-19)31-28(35)30(20,22)27(37-18(4)32)24-26(38-24)29(5,36)25(15)34/h6-9,11-13,15-16,20-24,26-27,33,36H,3,10,14H2,1-2,4-5H3,(H,31,35)/b13-9+/t15-,16+,20-,21-,22-,23+,24?,26?,27+,29-,30-/m0/s1
C30H37NO7523.61735600
32055244

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C30H37NO7/c1-15-10-9-13-20-23(33)17(3)16(2)22-21(14-19-11-7-6-8-12-19)31-28(35)30(20,22)27(37-18(4)32)24-26(38-24)29(5,36)25(15)34/h6-9,11-13,15-16,20-24,26-27,33,36H,3,10,14H2,1-2,4-5H3,(H,31,35)/b13-9-/t15-,16+,20-,21-,22-,23+,24+,26+,27?,29-,30-/m0/s1
C30H37NO7523.61732200
52563387

Double-bond stereo

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C30H37NO7/c1-15-10-9-13-20-23(33)17(3)16(2)22-21(14-19-11-7-6-8-12-19)31-28(35)30(20,22)27(37-18(4)32)24-26(38-24)29(5,36)25(15)34/h6-9,11-13,15-16,20-24,26-27,33,36H,3,10,14H2,1-2,4-5H3,(H,31,35)/b13-9-/t15-,16+,20-,21-,22-,23+,24?,26?,27+,29-,30-/m0/s1
C30H37NO7523.61731100
68025460

Double-bond stereo

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C30H37NO7/c1-15-10-9-13-20-23(33)17(3)16(2)22-21(14-19-11-7-6-8-12-19)31-28(35)30(20,22)27(37-18(4)32)24-26(38-24)29(5,36)25(15)34/h6-9,11-13,15-16,20-24,26-27,33,36H,3,10,14H2,1-2,4-5H3,(H,31,35)/b13-9-/t15-,16+,20-,21?,22-,23+,24+,26+,27+,29-,30?/m1/s1
C30H37NO7523.61731100
78441961

Double-bond stereo

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C30H37NO7/c1-15-10-9-13-20-23(33)17(3)16(2)22-21(14-19-11-7-6-8-12-19)31-28(35)30(20,22)27(37-18(4)32)24-26(38-24)29(5,36)25(15)34/h6-9,11-13,15-16,20-24,26-27,33,36H,3,10,14H2,1-2,4-5H3,(H,31,35)/b13-9-/t15-,16+,20?,21-,22-,23+,24+,26+,27+,29-,30?/m0/s1
C30H37NO7523.61731100
103846863

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C30H37NO7/c1-15-10-9-13-20-23(33)17(3)16(2)22-21(14-19-11-7-6-8-12-19)31-28(35)30(20,22)27(37-18(4)32)24-26(38-24)29(5,36)25(15)34/h6-9,11-13,15-16,20-24,26-27,33,36H,3,10,14H2,1-2,4-5H3,(H,31,35)/b13-9+/t15-,16+,20-,21-,22-,23+,24+,26+,27+,29-,30+/m0/s1
C30H37NO7523.61731100
111307023

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C30H37NO7/c1-15-10-9-13-20-23(33)17(3)16(2)22-21(14-19-11-7-6-8-12-19)31-28(35)30(20,22)27(37-18(4)32)24-26(38-24)29(5,36)25(15)34/h6-9,11-13,15-16,20-24,26-27,33,36H,3,10,14H2,1-2,4-5H3,(H,31,35)/b13-9-/t15-,16+,20-,21-,22-,23+,24+,26+,27+,29-,30+/m0/s1
C30H37NO7523.61731100
113386028

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C30H37NO7/c1-15-10-9-13-20-23(33)17(3)16(2)22-21(14-19-11-7-6-8-12-19)31-28(35)30(20,22)27(37-18(4)32)24-26(38-24)29(5,36)25(15)34/h6-9,11-13,15-16,20-24,26-27,33,36H,3,10,14H2,1-2,4-5H3,(H,31,35)/b13-9+/t15-,16+,20-,21-,22-,23+,24-,26-,27+,29-,30-/m0/s1
C30H37NO7523.61731100
114724767

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C30H37NO7/c1-15-10-9-13-20-23(33)17(3)16(2)22-21(14-19-11-7-6-8-12-19)31-28(35)30(20,22)27(37-18(4)32)24-26(38-24)29(5,36)25(15)34/h6-9,11-13,15-16,20-24,26-27,33,36H,3,10,14H2,1-2,4-5H3,(H,31,35)/b13-9+/t15-,16+,20?,21-,22-,23+,24+,26+,27+,29-,30-/m0/s1
C30H37NO7523.61731100
118210133

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C30H37NO7/c1-15-10-9-13-20-23(33)17(3)16(2)22-21(14-19-11-7-6-8-12-19)31-28(35)30(20,22)27(37-18(4)32)24-26(38-24)29(5,36)25(15)34/h6-9,11-13,15-16,20-24,26-27,33,36H,3,10,14H2,1-2,4-5H3,(H,31,35)/b13-9+/t15-,16+,20+,21-,22-,23+,24+,26+,27+,29-,30+/m0/s1
C30H37NO7523.61731100
123962075

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C30H37NO7/c1-15-10-9-13-20-23(33)17(3)16(2)22-21(14-19-11-7-6-8-12-19)31-28(35)30(20,22)27(37-18(4)32)24-26(38-24)29(5,36)25(15)34/h6-9,11-13,15-16,20-24,26-27,33,36H,3,10,14H2,1-2,4-5H3,(H,31,35)/b13-9-/t15-,16+,20-,21?,22-,23+,24+,26+,27+,29-,30-/m0/s1
C30H37NO7523.61731100
128925527

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C30H37NO7/c1-15-10-9-13-20-23(33)17(3)16(2)22-21(14-19-11-7-6-8-12-19)31-28(35)30(20,22)27(37-18(4)32)24-26(38-24)29(5,36)25(15)34/h6-9,11-13,15-16,20-24,26-27,33,36H,3,10,14H2,1-2,4-5H3,(H,31,35)/b13-9-/t15-,16+,20-,21-,22+,23-,24+,26-,27+,29-,30+/m0/s1
C30H37NO7523.61731100

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