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
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Found 386 results

Search term: C9H13NO5S (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
23120766

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H13NO5S/c1-10-5-9(16(13,14)15)6-2-3-7(11)8(12)4-6/h2-4,9-12H,5H2,1H3,(H,13,14,15)
C9H13NO5S247.2682303600
22370531
InChI=1/C9H13NO5S/c1-9(2,3)10-16(13,14)7-5-4-6(15-7)8(11)12/h4-5,10H,1-3H3,(H,11,12)
C9H13NO5S247.2682281800
1214022
InChI=1/C9H13NO5S/c1-6-8(7(2)15-10-6)4-16(12,13)5-9(11)14-3/h4-5H2,1-3H3
C9H13NO5S247.2682232200
1241947
InChI=1/C9H13NO5S/c1-13-8-5-4-7(6-9(8)14-2)16(11,12)10-15-3/h4-6,10H,1-3H3
C9H13NO5S247.2682221400
16820075

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C9H13NO5S/c11-8-3-6(9(12)13)4-10(8)7-1-2-16(14,15)5-7/h6-7H,1-5H2,(H,12,13)
C9H13NO5S247.2682221600
1718844
InChI=1/C9H13NO5S/c1-2-3-6-14-9(11)7-4-5-8(15-7)16(10,12)13/h4-5H,2-3,6H2,1H3,(H2,10,12,13)
C9H13NO5S247.2682201400
24831551
InChI=1/C9H13NO5S/c1-13-6-4-7(14-2)9(16(10,11)12)8(5-6)15-3/h4-5H,1-3H3,(H2,10,11,12)
C9H13NO5S247.2682181400
34984043

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H13NO5S/c1-10-6-9(11)7-3-2-4-8(5-7)15-16(12,13)14/h2-5,9-11H,6H2,1H3,(H,12,13,14)/t9-/m0/s1
C9H13NO5S247.2682171800
21805297
InChI=1/C9H13NO5S/c1-3-7-4-8(15-10-7)5-16(12,13)6-9(11)14-2/h4H,3,5-6H2,1-2H3
C9H13NO5S247.268216900
24600513
InChI=1/C9H13NO5S/c1-14-9(11)7-10(16(2,12)13)6-8-4-3-5-15-8/h3-5H,6-7H2,1-2H3
C9H13NO5S247.2682151200
4954478
InChI=1/C7H8O3S.C2H5NO2/c1-6-2-4-7(5-3-6)11(8,9)10;3-1-2(4)5/h2-5H,1H3,(H,8,9,10);1,3H2,(H,4,5)
C9H13NO5S247.268215700
31037084
InChI=1/C9H13NO5S/c1-13-6-4-5-7(16(10,11)12)9(15-3)8(6)14-2/h4-5H,1-3H3,(H2,10,11,12)
C9H13NO5S247.2682151100
2024393
InChI=1/C9H13NO5S/c1-4-14-9(11)7-5(2)15-6(3)8(7)16(10,12)13/h4H2,1-3H3,(H2,10,12,13)
C9H13NO5S247.2682213900
4870788

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H13NO5S/c1-10(8(11)2-3-9(12)13)7-4-5-16(14,15)6-7/h2-3,7H,4-6H2,1H3,(H,12,13)/b3-2+
C9H13NO5S247.2682131200
23940464
InChI=1/C9H11NO4S.H2O/c1-6(11)10-8-5-7(15(12)13)3-4-9(8)14-2;/h3-5H,1-2H3,(H,10,11)(H,12,13);1H2
C9H13NO5S247.268212900
21267289
InChI=1/C9H13NO5S/c1-2-7-5-8(15-10-7)6-16(13,14)4-3-9(11)12/h5H,2-4,6H2,1H3,(H,11,12)
C9H13NO5S247.268211500
21267273
InChI=1/C9H13NO5S/c1-6(2)8-3-7(10-15-8)4-16(13,14)5-9(11)12/h3,6H,4-5H2,1-2H3,(H,11,12)
C9H13NO5S247.268211500
11977575

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H13NO5S/c1-10(8(11)2-3-9(12)13)7-4-5-16(14,15)6-7/h2-3,7H,4-6H2,1H3,(H,12,13)/b3-2-
C9H13NO5S247.268211800
21267272
InChI=1/C9H13NO5S/c1-6(2)8-3-7(15-10-8)4-16(13,14)5-9(11)12/h3,6H,4-5H2,1-2H3,(H,11,12)
C9H13NO5S247.268210400
21267276
InChI=1/C9H13NO5S/c1-2-3-7-4-8(15-10-7)5-16(13,14)6-9(11)12/h4H,2-3,5-6H2,1H3,(H,11,12)
C9H13NO5S247.268210400
12345

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