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 7 results

Search term: ICSAXRANXQSPQP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
552173

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H15NO5S.Na/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6;/h5-7,11,14H,2-4H2,1H3,(H,16,17);/q;+1/p-1/t5-,6-,7+,11-;/m1./s1
C12H14NNaO5S307.298434500
28290577

Charge

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H15NO5S.Na/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6;/h5-7,11,14H,2-4H2,1H3,(H,16,17);/q;+1/p-1/t5-,6?,7+,11-;/m1./s1
C12H14NNaO5S307.2986500
44208988

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H15NO5S.Na/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6;/h5-7,11,14H,2-4H2,1H3,(H,16,17);/q;+1/p-1/t5-,6+,7+,11-;/m0./s1
C12H14NNaO5S307.2984400
19760761

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C12H15NO5S.Na/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6;/h5-7,11,14H,2-4H2,1H3,(H,16,17);/q;+1/p-1
C12H14NNaO5S307.2982200
64868978

Charge

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C12H15NO5S.Na/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6;/h5-7,11,14H,2-4H2,1H3,(H,16,17);/q;+1/p-1/t5?,6-,7?,11-;/m1./s1
C12H14NNaO5S307.2982100
58159079

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H15NO5S.Na/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6;/h5-7,11,14H,2-4H2,1H3,(H,16,17);/q;+1/p-1/t5-,6+,7+,11-;/m1./s1
C12H14NNaO5S307.2981100
9791246

Charge

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H15NO5S.Na/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6;/h5-7,11,14H,2-4H2,1H3,(H,16,17);/q;+1/p-1/t5-,6-,7?,11-;/m1./s1
C12H14NNaO5S307.2981100

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