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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 23 results

Search term: XPYGGHVSFMUHLH (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4445383

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8+,19-9-/t16-,20-,21-,22+,23+,24-/m1/s1
C27H38F6O3524.5792485000
27471464

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8+,19-9+/t16-,20-,21-,22+,23+,24-/m1/s1
C27H38F6O3524.57928300
22234763

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8+,19-9+
C27H38F6O3524.579251200
8634879

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8-,19-9+/t16-,20-,21-,22+,23+,24-/m1/s1
C27H38F6O3524.57923200
65791178

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8u,19-9-/t16-,20-,21-,22+,23+,24-/m1/s1
C27H38F6O3524.579231000
88297684

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8+,19-9-/t16-,20+,21-,22+,23-,24-/m1/s1
C27H38F6O3524.57922100
3206

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3
C27H38F6O3524.57922100
8047168

Double-bond stereo

1 of 6 defined stereocentres - 1/6 defined
InChI=1/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8+,19-9-/t16?,20-,21?,22?,23?,24?/m1/s1
C27H38F6O3524.57922100
23130001

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8+,19-9-/t16-,20-,21?,22+,23+,24-/m1/s1
C27H38F6O3524.57922200
35308365

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8-,19-9-/t16-,20-,21-,22+,23+,24-/m1/s1
C27H38F6O3524.57922200
62651830

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8+,19-9+/t16-,20+,21-,22+,23+,24-/m1/s1
C27H38F6O3524.57922200
29789846

Double-bond stereo

2 of 6 defined stereocentres - 2/6 defined
InChI=1/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8+,19-9+/t16?,20?,21?,22?,23-,24-/m1/s1
C27H38F6O3524.57921100
107443605

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8+,19-9-/t16-,20-,21-,22+,23-,24+/m0/s1
C27H38F6O3524.57921100
111309452

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8+,19-9+/t16-,20-,21+,22-,23+,24+/m1/s1
C27H38F6O3524.57921100
111311290

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8-,19-9-/t16-,20-,21-,22+,23+,24-/m0/s1
C27H38F6O3524.57921100
111313050

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8-,19-9-/t16-,20-,21-,22+,23-,24+/m1/s1
C27H38F6O3524.57921100
113618144

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8+,19-9+/t16-,20-,21+,22-,23+,24+/m0/s1
C27H38F6O3524.57921100
114391627

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8u,19-9+/t16-,20+,21-,22+,23+,24-/m1/s1
C27H38F6O3524.57921100
12

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