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: BBUGUVNRTWPSOB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4701229

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H21NO3/c1-20-15-5-2-13(3-6-15)4-7-17(19)21-16-12-18-10-8-14(16)9-11-18/h2-7,14,16H,8-12H2,1H3/b7-4+
C17H21NO3287.353513900
2544444

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H21NO3/c1-20-15-5-2-13(3-6-15)4-7-17(19)21-16-12-18-10-8-14(16)9-11-18/h2-7,14,16H,8-12H2,1H3
C17H21NO3287.35353300
792450

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H21NO3/c1-20-15-5-2-13(3-6-15)4-7-17(19)21-16-12-18-10-8-14(16)9-11-18/h2-7,14,16H,8-12H2,1H3/b7-4+/t16-/m0/s1
C17H21NO3287.35352100
792451

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H21NO3/c1-20-15-5-2-13(3-6-15)4-7-17(19)21-16-12-18-10-8-14(16)9-11-18/h2-7,14,16H,8-12H2,1H3/b7-4+/t16-/m1/s1
C17H21NO3287.35352100
4403829

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H21NO3/c1-20-15-5-2-13(3-6-15)4-7-17(19)21-16-12-18-10-8-14(16)9-11-18/h2-7,14,16H,8-12H2,1H3/p+1
C17H22NO3288.361481100
4609875

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H21NO3/c1-20-15-5-2-13(3-6-15)4-7-17(19)21-16-12-18-10-8-14(16)9-11-18/h2-7,14,16H,8-12H2,1H3/p+1/b7-4+/t16-/m0/s1
C17H22NO3288.36091100
4614728

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H21NO3/c1-20-15-5-2-13(3-6-15)4-7-17(19)21-16-12-18-10-8-14(16)9-11-18/h2-7,14,16H,8-12H2,1H3/p+1/b7-4+/t16-/m1/s1
C17H22NO3288.36091100

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