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: HRUVCIFYTWUDAJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4376777

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H17N3O3S/c1-13-12-25-18(19-15-5-3-2-4-6-15)20(13)11-17(22)14-7-9-16(10-8-14)21(23)24/h2-10,12,17,22H,11H2,1H3/b19-18-
C18H17N3O3S355.4108810500
22935128

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H17N3O3S/c1-13-12-25-18(19-15-5-3-2-4-6-15)20(13)11-17(22)14-7-9-16(10-8-14)21(23)24/h2-10,12,17,22H,11H2,1H3/b19-18+
C18H17N3O3S355.41097600
3777092

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H17N3O3S/c1-13-12-25-18(19-15-5-3-2-4-6-15)20(13)11-17(22)14-7-9-16(10-8-14)21(23)24/h2-10,12,17,22H,11H2,1H3/p+1
C18H18N3O3S356.418825100
1773655

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H17N3O3S/c1-13-12-25-18(19-15-5-3-2-4-6-15)20(13)11-17(22)14-7-9-16(10-8-14)21(23)24/h2-10,12,17,22H,11H2,1H3/p+1/t17-/m0/s1
C18H18N3O3S356.41832100
1773660

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H17N3O3S/c1-13-12-25-18(19-15-5-3-2-4-6-15)20(13)11-17(22)14-7-9-16(10-8-14)21(23)24/h2-10,12,17,22H,11H2,1H3/p+1/t17-/m1/s1
C18H18N3O3S356.41832100
35401182

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H17N3O3S/c1-13-12-25-18(19-15-5-3-2-4-6-15)20(13)11-17(22)14-7-9-16(10-8-14)21(23)24/h2-10,12,17,22H,11H2,1H3
C18H17N3O3S355.41091100

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