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 85 results

Search term: C1(=CC=CC=C1)* (Found by matching substring to any synonym - approximate match!)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
13470

InChI=1/C8H6O2/c9-6-8(10)7-4-2-1-3-5-7/h1-6H
C8H6O2134.13212062400
4444110

Double-bond stereo
InChI=1/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+
C14H12O2212.2439110182910
39255


InChI=1/C19H14F3NO/c1-23-11-16(13-6-3-2-4-7-13)18(24)17(12-23)14-8-5-9-15(10-14)19(20,21)22/h2-12H,1H3
C19H14F3NO329.315810114900
85798
InChI=1/C15H15NO/c17-15(14-9-5-2-6-10-14)16-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,16,17)
C15H15NO225.2857957913
505904
InChI=1/C16H11ClN2/c17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h1-11H
C16H11ClN2266.72498958014
9617754

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1
C26H30N6O3474.5548898100
19537

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H28N.BrH/c1-4-23(5-2)17-16-21(18(23)3)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,18H,4-5,16-17H2,1-3H3;1H/q+1;/p-1
C22H28BrN386.368428584540
371391
InChI=1/C16H24N2/c1-2-4-15(5-3-1)14-18-12-8-16(9-13-18)6-10-17-11-7-16/h1-5,17H,6-14H2
C16H24N2244.3752834800
2043599
InChI=1/C11H10N2/c12-11-6-10(7-13-8-11)9-4-2-1-3-5-9/h1-8H,12H2
C11H10N2170.2105804900
9431746

InChI=1/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
C19H19N3O2S353.4381777900
17466

Charge
InChI=1/C21H28NO3.BrH/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,24H,4-5,16-17H2,1-3H3;1H/q+1;/p-1
C21H28BrNO3422.3559726500
488885

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H11Br/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
C9H11Br199.0876684505
4511989

Double-bond stereo
InChI=1/C13H18O2/c1-3-14-13(15-4-2)11-10-12-8-6-5-7-9-12/h5-11,13H,3-4H2,1-2H3/b11-10+
C13H18O2206.2808675701
696797
InChI=1/C12H8BrNO/c13-11-6-10(7-14-8-11)12(15)9-4-2-1-3-5-9/h1-8H
C12H8BrNO262.102664200
37260
InChI=1/C16H19NO/c1-17-12-13-18-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
C16H19NO241.3282665910
9492405
InChI=1/C24H23N7O4/c1-15-27-14-31(28-15)22-20-19(18(35-2)13-26-22)17(12-25-20)21(32)24(34)30-10-8-29(9-11-30)23(33)16-6-4-3-5-7-16/h3-7,12-14,25H,8-11H2,1-2H3
C24H23N7O4473.4839626200
5293004

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C15H22N2O.ClH/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,16H2,1-2H3;1H/t13-,15+;/m0./s1
C15H23ClN2O282.8089617700
8740840
InChI=1/C17H26N2O2/c1-16(2,3)21-15(20)19-11-9-17(13-18,10-12-19)14-7-5-4-6-8-14/h4-8H,9-13,18H2,1-3H3
C17H26N2O2290.4005574000
495219
InChI=1/C9H10O2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,10H,6-7H2
C9H10O2150.17455748011
13290660
InChI=1/C11H15N3O/c12-11(15)9-2-1-3-10(8-9)14-6-4-13-5-7-14/h1-3,8,13H,4-7H2,(H2,12,15)
C11H15N3O205.2563573800
12345

Advertisement