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 7 results

Search term: SVMOCCGIPIDIDM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7826280

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H38F6O4/c1-15(11-20(35)14-25(37,26(28,29)30)27(31,32)33)21-8-9-22-17(5-4-10-24(21,22)3)6-7-18-12-19(34)13-23(36)16(18)2/h6-7,15,19-23,34-37H,2,4-5,8-14H2,1,3H3/b17-6+,18-7-/t15-,19-,20+,21-,22+,23+,24-/m1/s1
C27H38F6O4540.57864500
4943670

Double-bond stereo

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C27H38F6O4/c1-15(11-20(35)14-25(37,26(28,29)30)27(31,32)33)21-8-9-22-17(5-4-10-24(21,22)3)6-7-18-12-19(34)13-23(36)16(18)2/h6-7,15,19-23,34-37H,2,4-5,8-14H2,1,3H3/b17-6+,18-7-/t15-,19-,20?,21-,22?,23?,24-/m1/s1
C27H38F6O4540.57863300
8432251

Double-bond stereo

2 of 7 defined stereocentres - 2/7 defined
InChI=1/C27H38F6O4/c1-15(11-20(35)14-25(37,26(28,29)30)27(31,32)33)21-8-9-22-17(5-4-10-24(21,22)3)6-7-18-12-19(34)13-23(36)16(18)2/h6-7,15,19-23,34-37H,2,4-5,8-14H2,1,3H3/b17-6+,18-7-/t15?,19-,20+,21?,22?,23?,24?/m1/s1
C27H38F6O4540.57862100
8500472

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C27H38F6O4/c1-15(11-20(35)14-25(37,26(28,29)30)27(31,32)33)21-8-9-22-17(5-4-10-24(21,22)3)6-7-18-12-19(34)13-23(36)16(18)2/h6-7,15,19-23,34-37H,2,4-5,8-14H2,1,3H3/b17-6+,18-7-/t15?,19-,20+,21-,22+,23+,24-/m1/s1
C27H38F6O4540.57862100
23130000

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C27H38F6O4/c1-15(11-20(35)14-25(37,26(28,29)30)27(31,32)33)21-8-9-22-17(5-4-10-24(21,22)3)6-7-18-12-19(34)13-23(36)16(18)2/h6-7,15,19-23,34-37H,2,4-5,8-14H2,1,3H3/b17-6+,18-7-/t15-,19-,20+,21?,22+,23+,24-/m1/s1
C27H38F6O4540.57862200
7983601

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C27H38F6O4/c1-15(11-20(35)14-25(37,26(28,29)30)27(31,32)33)21-8-9-22-17(5-4-10-24(21,22)3)6-7-18-12-19(34)13-23(36)16(18)2/h6-7,15,19-23,34-37H,2,4-5,8-14H2,1,3H3/b17-6+,18-7-/t15?,19-,20+,21-,22?,23+,24-/m1/s1
C27H38F6O4540.57861100

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