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 26 results

Search term: CZDKQKOAHAICSF (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2497521

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19+,20-,21+,22+,24+,25-,26-,27-/m1/s1
C27H46O2402.65294364200
19990805

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19+,20-,21+,22+,24+,25+,26-,27-/m1/s1
C27H46O2402.6529181800
2497513

9 of 9 defined stereocentres - 9/9 defined

Non-standard isotope
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19+,20-,21+,22+,24+,25-,26-,27-/m1/s1/i1D3,2D3,17D
C27H39D7O2409.6961171800
30649562

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19+,20-,21+,22+,24?,25-,26-,27-/m1/s1
C27H46O2402.652910600
78057

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3
C27H46O2402.65298500
58783089

9 of 9 defined stereocentres - 9/9 defined

Non-standard isotope
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19+,20-,21+,22+,24+,25-,26-,27-/m1/s1/i1D3,17D/t17?,18-,19+,20-,21+,22+,24+,25-,26-,27-
C27H42D4O2406.67768700
19972306

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19+,20-,21+,22+,24?,25?,26-,27-/m1/s1
C27H46O2402.65294509
148310

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19+,20?,21+,22+,24+,25+,26-,27-/m1/s1
C27H46O2402.65293300
19972305

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19+,20-,21+,22+,24+,25?,26-,27-/m1/s1
C27H46O2402.65292113
23976556

5 of 9 defined stereocentres - 5/9 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18?,19-,20?,21?,22?,24-,25+,26+,27+/m0/s1
C27H46O2402.65292100
68024210

9 of 9 defined stereocentres - 9/9 defined

Non-standard isotope
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19+,20-,21+,22+,24+,25-,26-,27-/m1/s1/i17D
C27H45DO2403.65912200
32791236

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19+,20-,21+,22+,24-,25-,26-,27-/m1/s1
C27H46O2402.65292200
107450806

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19+,20-,21+,22+,24-,25+,26-,27-/m1/s1
C27H46O2402.65291200
111309418

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19-,20+,21-,22-,24-,25+,26+,27+/m1/s1
C27H46O2402.65291100
111309419

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19-,20+,21-,22-,24-,25-,26+,27+/m1/s1
C27H46O2402.65291100
113609115

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19+,20+,21+,22-,24+,25-,26-,27+/m1/s1
C27H46O2402.65291100
113618487

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19-,20+,21-,22-,24-,25-,26+,27+/m0/s1
C27H46O2402.65291100
113618488

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19-,20+,21-,22-,24-,25+,26+,27+/m0/s1
C27H46O2402.65291100
128776483

7 of 9 defined stereocentres - 7/9 defined

Non-standard isotope
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19+,20-,21+,22+,24?,25?,26-,27-/m1/s1/i10D,14D2,16D2,24D,25D
C27H39D7O2409.69611100
12

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