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 50 results

Search term: ZPUCINDJVBIVPJ (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10194104


4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1
C17H21NO4303.352955326261851002
2724

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3
C17H21NO4303.3529391548800
559081

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15-/m0/s1
C17H21NO4303.3529171866
5557

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12?,13?,14-,15+/m0/s1
C17H21NO4303.3529151400
553589

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14+,15-/m0/s1
C17H21NO4303.35298700
8813723

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1/i1D3
C17H18D3NO4306.371481100
4937726

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12?,13?,14-,15+/m1/s1
C17H21NO4303.35297800
17345103

2 of 4 defined stereocentres - 2/4 defined

Non-standard isotope
InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12?,13?,14-,15+/m0/s1/i1D3
C17H18D3NO4306.371471300
559093

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m1/s1
C17H21NO4303.35296400
559094

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15-/m1/s1
C17H21NO4303.35296700
27523966

0 of 4 defined stereocentres - 0/4 defined

Non-standard isotope
InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/i1D3
C17H18D3NO4306.37146800
62846390

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1/i2D3
C17H18D3NO4306.37145600
8036942

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12?,13?,14-,15-/m0/s1
C17H21NO4303.352932245
28640131

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12?,13?,14-,15-/m1/s1
C17H21NO4303.35293300
29354057

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13?,14+,15?/m1/s1
C17H21NO4303.35293300
30791059

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14?,15+/m0/s1
C17H21NO4303.35293300
24681117

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12?,13-,14-,15+/m1/s1
C17H21NO4303.35293300
24681240

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12?,13-,14+,15+/m1/s1
C17H21NO4303.35293300
24683431

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13?,14-,15?/m1/s1
C17H21NO4303.35293300
26639492

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12?,13?,14?,15-/m0/s1
C17H21NO4303.35293200
123

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