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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
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Single/Multi-component
Isotopically Labeled
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Found 234 results

Search term: C21H38O4 (Found by molecular formula)
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IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4446589

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-
C21H38O4354.52402526710
4517636

Double-bond stereo
InChI=1/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-
C21H38O4354.524475192
229207

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H38O4/c1-6-10-12-18(8-3)15-24-20(22)14-17(5)21(23)25-16-19(9-4)13-11-7-2/h18-19H,5-16H2,1-4H3
C21H38O4354.524372900
4445316

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H38O4/c1-4-5-6-13-16-20(25-19(2)22)17-14-11-9-7-8-10-12-15-18-21(23)24-3/h11,14,20H,4-10,12-13,15-18H2,1-3H3/b14-11-
C21H38O4354.52402353500
4470903

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H38O4/c1-3-4-13-21(2,25)14-10-12-18-17(19(23)16-20(18)24)11-8-6-5-7-9-15-22/h10,12,17-18,20,22,24-25H,3-9,11,13-16H2,1-2H3/b12-10+/t17-,18-,20-,21?/m1/s1
C21H38O4354.52402313400
4864241

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6+,10-9+
C21H38O4354.524294600
4510409

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H38O4/c1-4-5-6-13-16-20(25-19(2)22)17-14-11-9-7-8-10-12-15-18-21(23)24-3/h11,14,20H,4-10,12-13,15-18H2,1-3H3/b14-11-/t20-/m1/s1
C21H38O4354.524231901
4446200

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H38O4/c1-3-4-8-11-17(22)13-14-19-18(20(23)16-21(19)24)12-9-6-5-7-10-15-25-2/h6,9,13-14,17-24H,3-5,7-8,10-12,15-16H2,1-2H3/b9-6-,14-13+/t17-,18+,19+,20-,21+/m0/s1
C21H38O4354.524222500
4941255

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-/t20-/m0/s1
C21H38O4354.524212000
13085394

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H38O4/c1-3-4-9-15-21(2,25)16-14-17-12-13-19(22)18(17)10-7-5-6-8-11-20(23)24/h17-18,25H,3-16H2,1-2H3,(H,23,24)/t17-,18-,21?/m1/s1
C21H38O4354.524131500
21467704

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-/t20-/m1/s1
C21H38O4354.524121100
4747692

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H38O4/c1-4-5-6-13-16-20(25-19(2)22)17-14-11-9-7-8-10-12-15-18-21(23)24-3/h11,14,20H,4-10,12-13,15-18H2,1-3H3/b14-11+
C21H38O4354.524121000
8196623

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C21H38O4/c1-3-4-9-15-21(2,25)16-14-17-12-13-19(22)18(17)10-7-5-6-8-11-20(23)24/h17-18,25H,3-16H2,1-2H3,(H,23,24)/t17?,18-,21?/m1/s1
C21H38O4354.52411900
10737454

Double-bond stereo
InChI=1/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6+,10-9+
C21H38O4354.524111100
4938104

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24/h10-11,19H,3-9,12-18H2,1-2H3,(H,23,24)/b11-10-
C21H38O4354.52491200
200728
InChI=1/C21H38O4/c1-4-7-9-11-13-15-17-24-20(22)19(6-3)21(23)25-18-16-14-12-10-8-5-2/h6H,4-5,7-18H2,1-3H3
C21H38O4354.5249600
8626232

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H38O4/c1-6-10-12-17(7-2)13-11-14-21(9-4)16-18(8-3)19(24-25-21)15-20(22)23-5/h10,12,17-19H,6-9,11,13-16H2,1-5H3/b12-10+/t17?,18-,19-,21-/m0/s1
C21H38O4354.5249831
8603670

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H38O4/c1-6-10-12-17(7-2)13-11-14-21(9-4)16-18(8-3)19(24-25-21)15-20(22)23-5/h10,12,17-19H,6-9,11,13-16H2,1-5H3/b12-10+/t17?,18-,19-,21+/m0/s1
C21H38O4354.5248700
191337

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H38O4/c1-2-3-4-5-7-10-13-19-20(25-19)14-11-8-6-9-12-15-21(22)24-17-18-16-23-18/h18-20H,2-17H2,1H3
C21H38O4354.5247500
197657

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H38O4/c1-2-3-4-5-6-11-21(22)25-20(14-12-18-9-7-16-23-18)15-13-19-10-8-17-24-19/h18-20H,2-17H2,1H3
C21H38O4354.5247500
12345

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