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: QDBUMQXESHMJDI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7851473

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C26H28N6O9S2/c1-26(2,24(39)40)41-30-17(14-10-43-25(27)28-14)20(35)29-18-21(36)31-19(23(37)38)13(9-42-22(18)31)8-32(3)6-11-4-15(33)16(34)5-12(11)7-32/h4-5,10,18,22H,6-9H2,1-3H3,(H6-,27,28,29,30,33,34,35,37,38,39,40)/t18-,22-/m0/s1
C26H28N6O9S2632.66536500
8207549

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C26H28N6O9S2/c1-26(2,24(39)40)41-30-17(14-10-43-25(27)28-14)20(35)29-18-21(36)31-19(23(37)38)13(9-42-22(18)31)8-32(3)6-11-4-15(33)16(34)5-12(11)7-32/h4-5,10,18,22H,6-9H2,1-3H3,(H6-,27,28,29,30,33,34,35,37,38,39,40)
C26H28N6O9S2632.66534300
8207550

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C26H28N6O9S2/c1-26(2,24(39)40)41-30-17(14-10-43-25(27)28-14)20(35)29-18-21(36)31-19(23(37)38)13(9-42-22(18)31)8-32(3)6-11-4-15(33)16(34)5-12(11)7-32/h4-5,10,18,22H,6-9H2,1-3H3,(H6-,27,28,29,30,33,34,35,37,38,39,40)/p+1
C26H29N6O9S2633.67273200
115284990

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C26H28N6O9S2/c1-26(2,24(39)40)41-30-17(14-10-43-25(27)28-14)20(35)29-18-21(36)31-19(23(37)38)13(9-42-22(18)31)8-32(3)6-11-4-15(33)16(34)5-12(11)7-32/h4-5,10,18,22H,6-9H2,1-3H3,(H6-,27,28,29,30,33,34,35,37,38,39,40)/t18-,22-/m1/s1
C26H28N6O9S2632.66532200
7851474

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C26H28N6O9S2/c1-26(2,24(39)40)41-30-17(14-10-43-25(27)28-14)20(35)29-18-21(36)31-19(23(37)38)13(9-42-22(18)31)8-32(3)6-11-4-15(33)16(34)5-12(11)7-32/h4-5,10,18,22H,6-9H2,1-3H3,(H6-,27,28,29,30,33,34,35,37,38,39,40)/p+1/t18-,22-/m0/s1
C26H29N6O9S2633.67272200

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