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: RDCBMNFSJFALPG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
35143161

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H40O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h5,15-16,18-21,23,27H,6-14H2,1-4H3,(H,28,29)/b17-5+/t15-,16-,18-,19+,20+,21+,23+,25-,26-/m1/s1
C26H40O4416.5934312000
58106992

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H40O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h5,15-16,18-21,23,27H,6-14H2,1-4H3,(H,28,29)/t15-,16-,18-,19+,20+,21+,23+,25-,26-/m1/s1
C26H40O4416.59347400
58825463

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H40O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h5,15-16,18-21,23,27H,6-14H2,1-4H3,(H,28,29)/b17-5-/t15-,16-,18-,19+,20+,21+,23+,25-,26-/m1/s1
C26H40O4416.59343300
78430696

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C26H40O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h5,15-16,18-21,23,27H,6-14H2,1-4H3,(H,28,29)/b17-5-/t15?,16-,18-,19+,20+,21+,23+,25-,26-/m1/s1
C26H40O4416.59342200
113064212

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C26H40O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h5,15-16,18-21,23,27H,6-14H2,1-4H3,(H,28,29)/b17-5-/t15-,16?,18-,19+,20+,21?,23+,25-,26-/m1/s1
C26H40O4416.59342200
113607029

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H40O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h5,15-16,18-21,23,27H,6-14H2,1-4H3,(H,28,29)/b17-5+/t15-,16-,18-,19-,20-,21-,23-,25+,26+/m1/s1
C26H40O4416.59341100
114815363

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C26H40O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h5,15-16,18-21,23,27H,6-14H2,1-4H3,(H,28,29)/t15?,16-,18-,19+,20+,21+,23-,25+,26-/m1/s1
C26H40O4416.59341100
78430989

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C26H40O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h5,15-16,18-21,23,27H,6-14H2,1-4H3,(H,28,29)/b17-5+/t15?,16?,18-,19+,20+,21+,23+,25-,26-/m1/s1
C26H40O4416.59341100
78432238

Double-bond stereo

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C26H40O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h5,15-16,18-21,23,27H,6-14H2,1-4H3,(H,28,29)/t15?,16?,18?,19-,20+,21+,23-,25-,26-/m1/s1
C26H40O4416.59341100
78429302

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C26H40O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h5,15-16,18-21,23,27H,6-14H2,1-4H3,(H,28,29)/b17-5+/t15?,16-,18-,19+,20+,21+,23+,25-,26-/m1/s1
C26H40O4416.59341100
78429553

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C26H40O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h5,15-16,18-21,23,27H,6-14H2,1-4H3,(H,28,29)/b17-5-
C26H40O4416.59341100
78429909

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H40O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h5,15-16,18-21,23,27H,6-14H2,1-4H3,(H,28,29)/t15-,16-,18-,19+,20-,21+,23+,25-,26-/m1/s1
C26H40O4416.59341100
78430540

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H40O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h5,15-16,18-21,23,27H,6-14H2,1-4H3,(H,28,29)/b17-5+/t15-,16-,18-,19+,20+,21+,23+,25-,26-/m0/s1
C26H40O4416.59341100

Advertisement