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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 12 results

Search term: YCWGPALSXRBKTM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28649877

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C32H48O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-27,34H,9-10,13,15-18H2,1-8H3,(H,35,36)/b20-11+/t19-,24-,25+,26+,27+,30-,31-,32-/m1/s1
C32H48O5512.720510800
58802421

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C32H48O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-27,34H,9-10,13,15-18H2,1-8H3,(H,35,36)/b20-11+/t19-,24-,25+,26-,27+,30-,31-,32-/m1/s1
C32H48O5512.72058900
4476339

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C32H48O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-27,34H,9-10,13,15-18H2,1-8H3,(H,35,36)/b20-11+/t19-,24-,25?,26-,27+,30-,31-,32-/m1/s1
C32H48O5512.72056500
57257184

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C32H48O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-27,34H,9-10,13,15-18H2,1-8H3,(H,35,36)/b20-11+/t19-,24-,25?,26+,27+,30-,31-,32-/m1/s1
C32H48O5512.72055300
9550625

Double-bond stereo

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C32H48O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-27,34H,9-10,13,15-18H2,1-8H3,(H,35,36)/b20-11+/t19?,24?,25-,26+,27-,30+,31+,32+/m0/s1
C32H48O5512.72052100
113601152

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C32H48O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-27,34H,9-10,13,15-18H2,1-8H3,(H,35,36)/b20-11+/t19-,24-,25?,26+,27+,30-,31-,32-/m0/s1
C32H48O5512.72051100
113608965

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C32H48O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-27,34H,9-10,13,15-18H2,1-8H3,(H,35,36)/t19-,24+,25?,26+,27+,30+,31-,32-/m1/s1
C32H48O5512.72051100
113609984

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C32H48O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-27,34H,9-10,13,15-18H2,1-8H3,(H,35,36)/t19-,24+,25+,26-,27+,30+,31-,32-/m1/s1
C32H48O5512.72051100
115015600

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C32H48O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-27,34H,9-10,13,15-18H2,1-8H3,(H,35,36)/b20-11+/t19-,24?,25+,26+,27+,30-,31-,32-/m1/s1
C32H48O5512.72051100
115015601

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C32H48O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-27,34H,9-10,13,15-18H2,1-8H3,(H,35,36)/b20-11+/t19-,24?,25+,26-,27+,30-,31-,32-/m1/s1
C32H48O5512.72051100
129310366

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C32H48O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-27,34H,9-10,13,15-18H2,1-8H3,(H,35,36)/t19-,24-,25?,26+,27+,30-,31-,32-/m0/s1
C32H48O5512.72051100
129310446

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C32H48O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-27,34H,9-10,13,15-18H2,1-8H3,(H,35,36)/t19-,24-,25+,26-,27+,30-,31-,32-/m1/s1
C32H48O5512.72051100

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