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 383 results

Search term: C8H14N2O5S (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9293602
InChI=1/C8H12N2O.H2O4S/c9-7-1-2-8(10)6(5-7)3-4-11;1-5(2,3)4/h1-2,5,11H,3-4,9-10H2;(H2,1,2,3,4)
C8H14N2O5S250.2722825600
45371
InChI=1/C8H12N2O.H2O4S/c1-2-11-8-4-3-6(9)5-7(8)10;1-5(2,3)4/h3-5H,2,9-10H2,1H3;(H2,1,2,3,4)
C8H14N2O5S250.2722764800
110467

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1
C8H14N2O5S250.27226629000
21824894
InChI=1/C8H12N2O.H2O4S/c1-2-11-6-3-4-7(9)8(10)5-6;1-5(2,3)4/h3-5H,2,9-10H2,1H3;(H2,1,2,3,4)
C8H14N2O5S250.2722533100
819

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)
C8H14N2O5S250.27223499914276
25557469

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C8H14N2O5S/c11-7(12)1-3-9-8(13)10-6-2-4-16(14,15)5-6/h6H,1-5H2,(H,11,12)(H2,9,10,13)
C8H14N2O5S250.2722161000
29366639
InChI=1/C8H12N2O.H2O4S/c9-7-2-1-6(3-4-11)8(10)5-7;1-5(2,3)4/h1-2,5,11H,3-4,9-10H2;(H2,1,2,3,4)
C8H14N2O5S250.2722131300
279585
InChI=1/C8H14N2O5S/c1-8(2)6(11)10(7(12)9-8)4-5-15-16(3,13)14/h4-5H2,1-3H3,(H,9,12)
C8H14N2O5S250.2722121000
8346973

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H14N2O5S/c9-4(1-2-6(11)12)7(13)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,13)(H,11,12)(H,14,15)/t4-,5-/m0/s1
C8H14N2O5S250.2722112900
65090140
InChI=1/C7H10N2O2.CH4O3S/c10-4-6-1-7(9-11-6)5-2-8-3-5;1-5(2,3)4/h1,5,8,10H,2-4H2;1H3,(H,2,3,4)
C8H14N2O5S250.272211800
48059533

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H14N2O5S/c1-5(11)10-6(8(13)14)4-16(15)3-2-7(9)12/h6H,2-4H2,1H3,(H2,9,12)(H,10,11)(H,13,14)/t6-,16?/m0/s1
C8H14N2O5S250.272210800
34485715

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C8H14N2O5S/c1-3-15-8(11)6-4-10(16(2,13)14)5-7(6)9-12/h6,12H,3-5H2,1-2H3/b9-7+
C8H14N2O5S250.27229600
15973404
InChI=1/C8H12N2O.H2O4S/c1-11-5-6-4-7(9)2-3-8(6)10;1-5(2,3)4/h2-4H,5,9-10H2,1H3;(H2,1,2,3,4)
C8H14N2O5S250.27228800
16568281

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C8H14N2O5S/c9-4(3-16)7(13)10-5(8(14)15)1-2-6(11)12/h4-5,16H,1-3,9H2,(H,10,13)(H,11,12)(H,14,15)
C8H14N2O5S250.2722887832
62881756

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C8H14N2O5S/c1-3-15-8(11)6-4-10(16(2,13)14)5-7(6)9-12/h6,12H,3-5H2,1-2H3
C8H14N2O5S250.27228700
21791194

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H14N2O5S/c1-5(7(11)12)9-8(13)10-6-2-3-16(14,15)4-6/h5-6H,2-4H2,1H3,(H,11,12)(H2,9,10,13)/t5-,6?/m0/s1
C8H14N2O5S250.27227700
2966741

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C8H14N2O5S/c1-8(2-3-16(14,15)5-8)10-7(13)9-4-6(11)12/h2-5H2,1H3,(H,11,12)(H2,9,10,13)
C8H14N2O5S250.272167700
9577341

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
C8H14N2O5S250.27226400
58808666

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H14N2O5S/c1-4(12)10-5(8(14)15)3-16-6(2-11)7(9)13/h5-6,11H,2-3H2,1H3,(H2,9,13)(H,10,12)(H,14,15)/t5-,6?/m0/s1
C8H14N2O5S250.27226900
28682538

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C8H14N2O5S/c1-4(12)10-5(8(14)15)3-16-6(2-11)7(9)13/h5-6,11H,2-3H2,1H3,(H2,9,13)(H,10,12)(H,14,15)
C8H14N2O5S250.27225400
12345

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