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 6 results

Search term: RQXFIFSIGRFXOD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9169194

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H46O4/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-14-25(31)28(32)15-19(29)13-24(30)27(28,6)23(20)11-12-26(21,22)5/h16,18-24,29-30,32H,3,7-15H2,1-2,4-6H3/t18-,19+,20+,21-,22+,23+,24+,26-,27+,28-/m1/s1
C28H46O4446.66247621
19983181

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H46O4/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-14-25(31)28(32)15-19(29)13-24(30)27(28,6)23(20)11-12-26(21,22)5/h16,18-24,29-30,32H,3,7-15H2,1-2,4-6H3/t18-,19+,20+,21-,22+,23+,24+,26-,27+,28+/m1/s1
C28H46O4446.66243200
116750

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C28H46O4/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-14-25(31)28(32)15-19(29)13-24(30)27(28,6)23(20)11-12-26(21,22)5/h16,18-24,29-30,32H,3,7-15H2,1-2,4-6H3/t18-,19?,20+,21-,22+,23+,24?,26-,27+,28?/m1/s1
C28H46O4446.66243300
8564333

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C28H46O4/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-14-25(31)28(32)15-19(29)13-24(30)27(28,6)23(20)11-12-26(21,22)5/h16,18-24,29-30,32H,3,7-15H2,1-2,4-6H3/t18-,19+,20?,21-,22?,23?,24+,26-,27+,28-/m1/s1
C28H46O4446.66242100
30771063

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H46O4/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-14-25(31)28(32)15-19(29)13-24(30)27(28,6)23(20)11-12-26(21,22)5/h16,18-24,29-30,32H,3,7-15H2,1-2,4-6H3/t18-,19+,20+,21-,22+,23+,24-,26-,27+,28+/m1/s1
C28H46O4446.66242200

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