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: XMOLQYFYIRKUAY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7851860

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C26H24N6O9S2/c1-26(2,24(39)40)41-30-17(14-10-43-25(27)28-14)20(35)29-18-21(36)32-19(23(37)38)13(9-42-22(18)32)8-31-4-3-11-5-15(33)16(34)6-12(11)7-31/h3-7,10,18,22H,8-9H2,1-2H3,(H6,27,28,29,34,35,37,38,39,40)/b30-17+/t18-,22-/m1/s1
C26H24N6O9S2628.63364300
7851861

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C26H24N6O9S2/c1-26(2,24(39)40)41-30-17(14-10-43-25(27)28-14)20(35)29-18-21(36)32-19(23(37)38)13(9-42-22(18)32)8-31-4-3-11-5-15(33)16(34)6-12(11)7-31/h3-7,10,18,22H,8-9H2,1-2H3,(H6,27,28,29,34,35,37,38,39,40)/p+1/b30-17+/t18-,22-/m1/s1
C26H25N6O9S2629.6413200
8659538

Charge

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C26H24N6O9S2/c1-26(2,24(39)40)41-30-17(14-10-43-25(27)28-14)20(35)29-18-21(36)32-19(23(37)38)13(9-42-22(18)32)8-31-4-3-11-5-15(33)16(34)6-12(11)7-31/h3-7,10,18,22H,8-9H2,1-2H3,(H6,27,28,29,34,35,37,38,39,40)/p+1/b30-17-
C26H25N6O9S2629.6412100
115284935

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C26H24N6O9S2/c1-26(2,24(39)40)41-30-17(14-10-43-25(27)28-14)20(35)29-18-21(36)32-19(23(37)38)13(9-42-22(18)32)8-31-4-3-11-5-15(33)16(34)6-12(11)7-31/h3-7,10,18,22H,8-9H2,1-2H3,(H6,27,28,29,34,35,37,38,39,40)/t18-,22-/m1/s1
C26H24N6O9S2628.63362200
64884228

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C26H24N6O9S2/c1-26(2,24(39)40)41-30-17(14-10-43-25(27)28-14)20(35)29-18-21(36)32-19(23(37)38)13(9-42-22(18)32)8-31-4-3-11-5-15(33)16(34)6-12(11)7-31/h3-7,10,18,22H,8-9H2,1-2H3,(H6,27,28,29,34,35,37,38,39,40)/b30-17+
C26H24N6O9S2628.63361100

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