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 11 results

Search term: CBHWNVHRXOVHJV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
32056977

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C28H39FO10/c1-13-8-17-16-5-4-14-9-15(31)6-7-25(14,2)27(16,29)19(32)10-26(17,3)28(13,37)20(33)12-38-24-23(36)22(35)21(34)18(11-30)39-24/h6-7,9,13,16-19,21-24,30,32,34-37H,4-5,8,10-12H2,1-3H3/t13-,16+,17+,18-,19+,21+,22+,23-,24-,25+,26+,27+,28+/m1/s1
C28H39FO10554.60176600
56746

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C28H39FO10/c1-13-8-17-16-5-4-14-9-15(31)6-7-25(14,2)27(16,29)19(32)10-26(17,3)28(13,37)20(33)12-38-24-23(36)22(35)21(34)18(11-30)39-24/h6-7,9,13,16-19,21-24,30,32,34-37H,4-5,8,10-12H2,1-3H3/t13-,16+,17+,18-,19+,21-,22+,23-,24?,25+,26+,27+,28+/m1/s1
C28H39FO10554.60173300
8069548

8 of 13 defined stereocentres - 8/13 defined
InChI=1/C28H39FO10/c1-13-8-17-16-5-4-14-9-15(31)6-7-25(14,2)27(16,29)19(32)10-26(17,3)28(13,37)20(33)12-38-24-23(36)22(35)21(34)18(11-30)39-24/h6-7,9,13,16-19,21-24,30,32,34-37H,4-5,8,10-12H2,1-3H3/t13-,16?,17?,18-,19?,21+,22+,23-,24-,25?,26?,27+,28+/m1/s1
C28H39FO10554.60172100
8134957

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C28H39FO10/c1-13-8-17-16-5-4-14-9-15(31)6-7-25(14,2)27(16,29)19(32)10-26(17,3)28(13,37)20(33)12-38-24-23(36)22(35)21(34)18(11-30)39-24/h6-7,9,13,16-19,21-24,30,32,34-37H,4-5,8,10-12H2,1-3H3/t13-,16+,17+,18-,19+,21-,22+,23-,24-,25+,26+,27+,28+/m1/s1
C28H39FO10554.60172100
10444797

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C28H39FO10/c1-13-8-17-16-5-4-14-9-15(31)6-7-25(14,2)27(16,29)19(32)10-26(17,3)28(13,37)20(33)12-38-24-23(36)22(35)21(34)18(11-30)39-24/h6-7,9,13,16-19,21-24,30,32,34-37H,4-5,8,10-12H2,1-3H3
C28H39FO10554.60172200
23224917

7 of 13 defined stereocentres - 7/13 defined
InChI=1/C28H39FO10/c1-13-8-17-16-5-4-14-9-15(31)6-7-25(14,2)27(16,29)19(32)10-26(17,3)28(13,37)20(33)12-38-24-23(36)22(35)21(34)18(11-30)39-24/h6-7,9,13,16-19,21-24,30,32,34-37H,4-5,8,10-12H2,1-3H3/t13?,16?,17?,18-,19?,21-,22+,23-,24-,25?,26?,27+,28+/m1/s1
C28H39FO10554.60171100
23224960

7 of 13 defined stereocentres - 7/13 defined
InChI=1/C28H39FO10/c1-13-8-17-16-5-4-14-9-15(31)6-7-25(14,2)27(16,29)19(32)10-26(17,3)28(13,37)20(33)12-38-24-23(36)22(35)21(34)18(11-30)39-24/h6-7,9,13,16-19,21-24,30,32,34-37H,4-5,8,10-12H2,1-3H3/t13?,16?,17?,18-,19?,21+,22-,23+,24+,25?,26?,27-,28-/m0/s1
C28H39FO10554.60171100
25031301

8 of 13 defined stereocentres - 8/13 defined
InChI=1/C28H39FO10/c1-13-8-17-16-5-4-14-9-15(31)6-7-25(14,2)27(16,29)19(32)10-26(17,3)28(13,37)20(33)12-38-24-23(36)22(35)21(34)18(11-30)39-24/h6-7,9,13,16-19,21-24,30,32,34-37H,4-5,8,10-12H2,1-3H3/t13-,16?,17?,18-,19?,21-,22+,23-,24-,25?,26?,27+,28+/m1/s1
C28H39FO10554.60171100
34977456

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C28H39FO10/c1-13-8-17-16-5-4-14-9-15(31)6-7-25(14,2)27(16,29)19(32)10-26(17,3)28(13,37)20(33)12-38-24-23(36)22(35)21(34)18(11-30)39-24/h6-7,9,13,16-19,21-24,30,32,34-37H,4-5,8,10-12H2,1-3H3/t13-,16-,17-,18+,19+,21-,22-,23+,24-,25+,26-,27+,28-/m0/s1
C28H39FO10554.60171100
58818314

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C28H39FO10/c1-13-8-17-16-5-4-14-9-15(31)6-7-25(14,2)27(16,29)19(32)10-26(17,3)28(13,37)20(33)12-38-24-23(36)22(35)21(34)18(11-30)39-24/h6-7,9,13,16-19,21-24,30,32,34-37H,4-5,8,10-12H2,1-3H3/t13-,16+,17+,18-,19+,21-,22+,23-,24?,25+,26?,27+,28+/m1/s1
C28H39FO10554.60171100
71116391

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C28H39FO10/c1-13-8-17-16-5-4-14-9-15(31)6-7-25(14,2)27(16,29)19(32)10-26(17,3)28(13,37)20(33)12-38-24-23(36)22(35)21(34)18(11-30)39-24/h6-7,9,13,16-19,21-24,30,32,34-37H,4-5,8,10-12H2,1-3H3/t13-,16+,17+,18?,19+,21+,22-,23?,24+,25+,26+,27+,28+/m1/s1
C28H39FO10554.60171100

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