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 12 results

Search term: SXGGEIQEHFCTTO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4501166

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H17NO5S2/c1-26-16-10-13(7-8-15(16)22)11-17-18(23)21(20(27)28-17)14(19(24)25)9-12-5-3-2-4-6-12/h2-8,10-11,14,22H,9H2,1H3,(H,24,25)/b17-11-
C20H17NO5S2415.4827281800
21823050

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H17NO5S2/c1-26-16-10-13(7-8-15(16)22)11-17-18(23)21(20(27)28-17)14(19(24)25)9-12-5-3-2-4-6-12/h2-8,10-11,14,22H,9H2,1H3,(H,24,25)/b17-11+
C20H17NO5S2415.48278400
2147648

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H17NO5S2/c1-26-16-10-13(7-8-15(16)22)11-17-18(23)21(20(27)28-17)14(19(24)25)9-12-5-3-2-4-6-12/h2-8,10-11,14,22H,9H2,1H3,(H,24,25)
C20H17NO5S2415.482686400
1148720

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H17NO5S2/c1-26-16-10-13(7-8-15(16)22)11-17-18(23)21(20(27)28-17)14(19(24)25)9-12-5-3-2-4-6-12/h2-8,10-11,14,22H,9H2,1H3,(H,24,25)/b17-11+/t14-/m0/s1
C20H17NO5S2415.48272100
1148721

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H17NO5S2/c1-26-16-10-13(7-8-15(16)22)11-17-18(23)21(20(27)28-17)14(19(24)25)9-12-5-3-2-4-6-12/h2-8,10-11,14,22H,9H2,1H3,(H,24,25)/b17-11-/t14-/m0/s1
C20H17NO5S2415.48272100
1148722

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H17NO5S2/c1-26-16-10-13(7-8-15(16)22)11-17-18(23)21(20(27)28-17)14(19(24)25)9-12-5-3-2-4-6-12/h2-8,10-11,14,22H,9H2,1H3,(H,24,25)/b17-11+/t14-/m1/s1
C20H17NO5S2415.48272100
1148723

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H17NO5S2/c1-26-16-10-13(7-8-15(16)22)11-17-18(23)21(20(27)28-17)14(19(24)25)9-12-5-3-2-4-6-12/h2-8,10-11,14,22H,9H2,1H3,(H,24,25)/b17-11-/t14-/m1/s1
C20H17NO5S2415.48272100
1272006

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H17NO5S2/c1-26-16-10-13(7-8-15(16)22)11-17-18(23)21(20(27)28-17)14(19(24)25)9-12-5-3-2-4-6-12/h2-8,10-11,14,22H,9H2,1H3,(H,24,25)/p-1/b17-11+/t14-/m0/s1
C20H16NO5S2414.47531100
1272007

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H17NO5S2/c1-26-16-10-13(7-8-15(16)22)11-17-18(23)21(20(27)28-17)14(19(24)25)9-12-5-3-2-4-6-12/h2-8,10-11,14,22H,9H2,1H3,(H,24,25)/p-1/b17-11-/t14-/m0/s1
C20H16NO5S2414.47531100
1272008

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H17NO5S2/c1-26-16-10-13(7-8-15(16)22)11-17-18(23)21(20(27)28-17)14(19(24)25)9-12-5-3-2-4-6-12/h2-8,10-11,14,22H,9H2,1H3,(H,24,25)/p-1/b17-11+/t14-/m1/s1
C20H16NO5S2414.47531100
1272009

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H17NO5S2/c1-26-16-10-13(7-8-15(16)22)11-17-18(23)21(20(27)28-17)14(19(24)25)9-12-5-3-2-4-6-12/h2-8,10-11,14,22H,9H2,1H3,(H,24,25)/p-1/b17-11-/t14-/m1/s1
C20H16NO5S2414.47531100
2565629

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H17NO5S2/c1-26-16-10-13(7-8-15(16)22)11-17-18(23)21(20(27)28-17)14(19(24)25)9-12-5-3-2-4-6-12/h2-8,10-11,14,22H,9H2,1H3,(H,24,25)/p-1
C20H16NO5S2414.47531100

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