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: IDKHPZRITBPAFQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5144190

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C25H22N6O4S2/c1-31-9-29-23(13(31)6-12(26)24(34)35)37-15-5-11(32)4-14-25(15)7-16(36-14)30-21-18(25)19-17-10(2-3-27-19)8-28-20(17)22(21)33/h4-5,8-9,12,16,28,30H,2-3,6-7,26H2,1H3,(H,34,35)/t12?,16-,25-/m0/s1
C25H22N6O4S2534.615400
4578509

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C25H22N6O4S2/c1-31-9-29-23(13(31)6-12(26)24(34)35)37-15-5-11(32)4-14-25(15)7-16(36-14)30-21-18(25)19-17-10(2-3-27-19)8-28-20(17)22(21)33/h4-5,8-9,12,16,28,30H,2-3,6-7,26H2,1H3,(H,34,35)
C25H22N6O4S2534.613200
10143448

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C25H22N6O4S2/c1-31-9-29-23(13(31)6-12(26)24(34)35)37-15-5-11(32)4-14-25(15)7-16(36-14)30-21-18(25)19-17-10(2-3-27-19)8-28-20(17)22(21)33/h4-5,8-9,12,16,28,30H,2-3,6-7,26H2,1H3,(H,34,35)/t12?,16?,25-/m0/s1
C25H22N6O4S2534.612200
26374485

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C25H22N6O4S2/c1-31-9-29-23(13(31)6-12(26)24(34)35)37-15-5-11(32)4-14-25(15)7-16(36-14)30-21-18(25)19-17-10(2-3-27-19)8-28-20(17)22(21)33/h4-5,8-9,12,16,28,30H,2-3,6-7,26H2,1H3,(H,34,35)/t12-,16-,25-/m0/s1
C25H22N6O4S2534.612200
26375247

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C25H22N6O4S2/c1-31-9-29-23(13(31)6-12(26)24(34)35)37-15-5-11(32)4-14-25(15)7-16(36-14)30-21-18(25)19-17-10(2-3-27-19)8-28-20(17)22(21)33/h4-5,8-9,12,16,28,30H,2-3,6-7,26H2,1H3,(H,34,35)/t12-,16+,25+/m0/s1
C25H22N6O4S2534.612200
29214306

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C25H22N6O4S2/c1-31-9-29-23(13(31)6-12(26)24(34)35)37-15-5-11(32)4-14-25(15)7-16(36-14)30-21-18(25)19-17-10(2-3-27-19)8-28-20(17)22(21)33/h4-5,8-9,12,16,28,30H,2-3,6-7,26H2,1H3,(H,34,35)/p+1/t12-,16-,25-/m0/s1
C25H23N6O4S2535.61742200

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