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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 29 results

Search term: KEEQQEKLEZRLDS (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10210055

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5+,8-6-,19-14+/t20-,21-,22-,23-,24-,27-,28-,29+/m1/s1
C29H38O8514.607218191613
50645431

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5-,8-6-,19-14-/t20-,21-,22-,23-,24-,27-,28-,29+/m1/s1
C29H38O8514.60729600
4941917

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5-,8-6-,19-14-/t20-,21-,22-,23-,24?,27-,28-,29+/m1/s1
C29H38O8514.60726600
10276253

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5+,8-6-,19-14+/t20-,21+,22-,23-,24-,27-,28-,29+/m1/s1
C29H38O8514.60725600
58827757

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5+,8-6?,19-14+/t20-,21-,22-,23-,24-,27-,28-,29+/m1/s1
C29H38O8514.60723300
8090091

Double-bond stereo

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5-,8-6-,19-14-/t20?,21?,22-,23-,24?,27?,28-,29+/m1/s1
C29H38O8514.60723200
10276252

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5+,8-6-,19-14+/t20-,21+,22+,23+,24+,27+,28+,29-/m0/s1
C29H38O8514.60723400
9974647

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5-,8-6-,19-14-/t20-,21+,22+,23+,24+,27+,28+,29-/m0/s1
C29H38O8514.60723200
10141972

Double-bond stereo

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5-,8-6-,19-14-/t20?,21-,22-,23?,24+,27+,28?,29+/m1/s1
C29H38O8514.60722200
8729252

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5-,8-6-,19-14-/t20-,21+,22-,23-,24-,27-,28-,29+/m1/s1
C29H38O8514.60722100
380322

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3
C29H38O8514.60722100
4585007

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5-,8-6-,19-14-
C29H38O8514.60722200
60498522

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5+,8-6+,19-14-/t20-,21-,22-,23-,24?,27-,28-,29+/m1/s1
C29H38O8514.60722200
28185152

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5+,8-6-,19-14-/t20-,21-,22+,23+,24+,27+,28+,29-/m0/s1
C29H38O8514.60722200
28185153

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5+,8-6-,19-14-/t20-,21-,22-,23-,24-,27-,28-,29+/m1/s1
C29H38O8514.60722200
34981437

Double-bond stereo

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5+,8-6-,19-14-/t20-,21-,22?,23-,24-,27-,28?,29+/m1/s1
C29H38O8514.60722200
34981438

Double-bond stereo

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5+,8-6-,19-14-/t20-,21-,22?,23+,24+,27+,28?,29-/m0/s1
C29H38O8514.60722200
110417986

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5+,8-6u,19-14+/t20-,21-,22-,23-,24-,27-,28-,29+/m1/s1
C29H38O8514.60721100
114815897

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5-,8-6-,19-14-/t20-,21-,22-,23-,24-,27+,28-,29+/m1/s1
C29H38O8514.60721100
129308914

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5+,8-6+,19-14+/t20-,21-,22-,23-,24-,27-,28-,29+/m1/s1
C29H38O8514.60721100
12

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