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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Single/Multi-component
Isotopically Labeled
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Found 15 results

Search term: YMNCVRSYJBNGLD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58793

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16-,17-,18+/m1/s1
C18H21NO4315.363668627964
245330

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3
C18H21NO4315.3636205400
28296751

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16?,17-,18+/m0/s1
C18H21NO4315.3636151100
9187693

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16-,17?,18+/m1/s1
C18H21NO4315.363662300
29789046

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16?,17-,18+/m1/s1
C18H21NO4315.36365400
48058293

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16-,17-,18+/m1/s1/i1+1D3
C1713CH18D3NO4319.37484500
68027096

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16-,17-,18+/m1/s1/i1+1
C1713CH21NO4316.35633200
68905723

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16-,17-,18+/m0/s1
C18H21NO4315.36363100
114391709

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16-,17-,18-/m0/s1
C18H21NO4315.36362200
9983886

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16-,17?,18+/m0/s1
C18H21NO4315.36362100
4475000

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16-,17-,18?/m1/s1
C18H21NO4315.36362200
58793448

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16?,17-,18+/m1/s1/i1D3,5D2
C18H16D5NO4320.39441200
114393176

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16-,17+,18-/m1/s1
C18H21NO4315.36361100
128925544

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16-,17+,18+/m1/s1
C18H21NO4315.36361100
78075907

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16-,17-,18+/m0/s1/i1D3
C18H18D3NO4318.38211100

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