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 5 results

Search term: QXXYNCHZWLGGFU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2601466

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H17F4N3O3/c1-10-8-11(2)23-14(9-10)24-17(16(27)28-3,18(20,21)22)25-15(26)12-4-6-13(19)7-5-12/h4-9H,1-3H3,(H,23,24)(H,25,26)
C18H17F4N3O3399.3395171400
1364586

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H17F4N3O3/c1-10-8-11(2)23-14(9-10)24-17(16(27)28-3,18(20,21)22)25-15(26)12-4-6-13(19)7-5-12/h4-9H,1-3H3,(H,23,24)(H,25,26)/t17-/m0/s1
C18H17F4N3O3399.33952100
1364588

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H17F4N3O3/c1-10-8-11(2)23-14(9-10)24-17(16(27)28-3,18(20,21)22)25-15(26)12-4-6-13(19)7-5-12/h4-9H,1-3H3,(H,23,24)(H,25,26)/t17-/m1/s1
C18H17F4N3O3399.33952100
1364585

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H17F4N3O3/c1-10-8-11(2)23-14(9-10)24-17(16(27)28-3,18(20,21)22)25-15(26)12-4-6-13(19)7-5-12/h4-9H,1-3H3,(H,23,24)(H,25,26)/p+1/t17-/m1/s1
C18H18F4N3O3400.34691100
1364587

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H17F4N3O3/c1-10-8-11(2)23-14(9-10)24-17(16(27)28-3,18(20,21)22)25-15(26)12-4-6-13(19)7-5-12/h4-9H,1-3H3,(H,23,24)(H,25,26)/p+1/t17-/m0/s1
C18H18F4N3O3400.34691100

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