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: ZFLXCZJBYSPSKU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4444582

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C12H21NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,19,20,21)/b5-3+,13-8u/t7-,9-,10+,11-,12+,25?/m1/s1
C12H21NO10S3435.490843200
7827537

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C12H21NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,19,20,21)/b5-3-,13-8+/t7-,9-,10+,11-,12+,25?/m1/s1
C12H21NO10S3435.49083400
8335629

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C12H21NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,19,20,21)/b5-3+,13-8-/t7-,9-,10+,11-,12?,25?/m1/s1
C12H21NO10S3435.49082100
3677887

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C12H21NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,19,20,21)
C12H21NO10S3435.490842100
31150841

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C12H21NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,19,20,21)/t7-,9-,10+,11-,12+,25?/m1/s1
C12H21NO10S3435.49082200
68905806

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C12H21NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,19,20,21)/b5-3u,13-8+/t7-,9-,10+,11-,12+,25?/m1/s1
C12H21NO10S3435.49082100
3677886

Charge

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C12H21NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,19,20,21)/p-1
C12H20NO10S3434.48291100
57487629

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C12H21NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,19,20,21)/b5-3+,13-8-
C12H21NO10S3435.49081200
4444581

Charge

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C12H21NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,19,20,21)/p-1/b5-3+,13-8u/t7-,9-,10+,11-,12+,25?/m1/s1
C12H20NO10S3434.48291100
7827536

Charge

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C12H21NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,19,20,21)/p-1/b5-3-,13-8+/t7-,9-,10+,11-,12+,25?/m1/s1
C12H20NO10S3434.48341100
21864749

Charge

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C12H21NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,19,20,21)/p-1/t7-,9-,10+,11-,12+,25?/m1/s1
C12H20NO10S3434.48341100
29273174

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C12H21NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,19,20,21)/b5-3+,13-8-/t7-,9-,10+,11-,12+,25?/m1/s1
C12H21NO10S3435.49081200

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