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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 14 results

Search term: VFCUJHFLFHQCRD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
558835

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H33NO5/c1-3-4-5-6-16-24(30)27-17-10-14-21-18-23(29)19(2)11-7-8-12-20-13-9-15-22(28)25(20)26(31)32-21/h4-10,13,15-17,19,21,23,28-29H,3,11-12,14,18H2,1-2H3,(H,27,30)/b5-4-,8-7+,16-6-,17-10+/t19-,21-,23+/m0/s1
C26H33NO5439.543991000
9616875

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H33NO5/c1-3-4-5-6-16-24(30)27-17-10-14-21-18-23(29)19(2)11-7-8-12-20-13-9-15-22(28)25(20)26(31)32-21/h4-10,13,15-17,19,21,23,28-29H,3,11-12,14,18H2,1-2H3,(H,27,30)/b5-4-,8-7+,16-6-,17-10-/t19-,21-,23+/m0/s1
C26H33NO5439.54396500
8846078

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H33NO5/c1-3-4-5-6-16-24(30)27-17-10-14-21-18-23(29)19(2)11-7-8-12-20-13-9-15-22(28)25(20)26(31)32-21/h4-10,13,15-17,19,21,23,28-29H,3,11-12,14,18H2,1-2H3,(H,27,30)/b5-4-,8-7+,16-6-,17-10-/t19-,21-,23+/m1/s1
C26H33NO5439.54394300
7978998

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H33NO5/c1-3-4-5-6-16-24(30)27-17-10-14-21-18-23(29)19(2)11-7-8-12-20-13-9-15-22(28)25(20)26(31)32-21/h4-10,13,15-17,19,21,23,28-29H,3,11-12,14,18H2,1-2H3,(H,27,30)/b5-4-,8-7+,16-6-,17-10+/t19-,21-,23+/m1/s1
C26H33NO5439.54394300
28282362

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H33NO5/c1-3-4-5-6-16-24(30)27-17-10-14-21-18-23(29)19(2)11-7-8-12-20-13-9-15-22(28)25(20)26(31)32-21/h4-10,13,15-17,19,21,23,28-29H,3,11-12,14,18H2,1-2H3,(H,27,30)/b5-4-,8-7-,16-6-,17-10+/t19-,21-,23+/m0/s1
C26H33NO5439.54394400
8021761

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C26H33NO5/c1-3-4-5-6-16-24(30)27-17-10-14-21-18-23(29)19(2)11-7-8-12-20-13-9-15-22(28)25(20)26(31)32-21/h4-10,13,15-17,19,21,23,28-29H,3,11-12,14,18H2,1-2H3,(H,27,30)/b5-4-,8-7+,16-6+,17-10+
C26H33NO5439.54392100
8130482

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C26H33NO5/c1-3-4-5-6-16-24(30)27-17-10-14-21-18-23(29)19(2)11-7-8-12-20-13-9-15-22(28)25(20)26(31)32-21/h4-10,13,15-17,19,21,23,28-29H,3,11-12,14,18H2,1-2H3,(H,27,30)/b5-4-,8-7+,16-6-,17-10-
C26H33NO5439.54392100
4965

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C26H33NO5/c1-3-4-5-6-16-24(30)27-17-10-14-21-18-23(29)19(2)11-7-8-12-20-13-9-15-22(28)25(20)26(31)32-21/h4-10,13,15-17,19,21,23,28-29H,3,11-12,14,18H2,1-2H3,(H,27,30)
C26H33NO5439.54392100
9628303

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H33NO5/c1-3-4-5-6-16-24(30)27-17-10-14-21-18-23(29)19(2)11-7-8-12-20-13-9-15-22(28)25(20)26(31)32-21/h4-10,13,15-17,19,21,23,28-29H,3,11-12,14,18H2,1-2H3,(H,27,30)/b5-4+,8-7+,16-6-,17-10+/t19-,21-,23+/m0/s1
C26H33NO5439.54392100
32778934

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H33NO5/c1-3-4-5-6-16-24(30)27-17-10-14-21-18-23(29)19(2)11-7-8-12-20-13-9-15-22(28)25(20)26(31)32-21/h4-10,13,15-17,19,21,23,28-29H,3,11-12,14,18H2,1-2H3,(H,27,30)/b5-4-,8-7+,16-6-,17-10+/t19-,21-,23-/m1/s1
C26H33NO5439.54391100
32778935

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H33NO5/c1-3-4-5-6-16-24(30)27-17-10-14-21-18-23(29)19(2)11-7-8-12-20-13-9-15-22(28)25(20)26(31)32-21/h4-10,13,15-17,19,21,23,28-29H,3,11-12,14,18H2,1-2H3,(H,27,30)/b5-4-,8-7+,16-6-,17-10-/t19-,21-,23-/m1/s1
C26H33NO5439.54391100
58134259

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H33NO5/c1-3-4-5-6-16-24(30)27-17-10-14-21-18-23(29)19(2)11-7-8-12-20-13-9-15-22(28)25(20)26(31)32-21/h4-10,13,15-17,19,21,23,28-29H,3,11-12,14,18H2,1-2H3,(H,27,30)/b5-4-,8-7-,16-6-,17-10-/t19-,21-,23+/m0/s1
C26H33NO5439.54391100
98612489

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H33NO5/c1-3-4-5-6-16-24(30)27-17-10-14-21-18-23(29)19(2)11-7-8-12-20-13-9-15-22(28)25(20)26(31)32-21/h4-10,13,15-17,19,21,23,28-29H,3,11-12,14,18H2,1-2H3,(H,27,30)/b5-4-,8-7+,16-6+,17-10+/t19-,21-,23+/m0/s1
C26H33NO5439.54391100

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