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: RMPNFABPBUPUBA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4843014

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H13NO7S2/c18-13(19)4-2-9(15(21)22)17-14(20)12(26-16(17)25)6-8-1-3-10-11(5-8)24-7-23-10/h1,3,5-6,9H,2,4,7H2,(H,18,19)(H,21,22)/b12-6-
C16H13NO7S2395.406910700
21822504

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H13NO7S2/c18-13(19)4-2-9(15(21)22)17-14(20)12(26-16(17)25)6-8-1-3-10-11(5-8)24-7-23-10/h1,3,5-6,9H,2,4,7H2,(H,18,19)(H,21,22)/b12-6+
C16H13NO7S2395.40696200
3949385

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H13NO7S2/c18-13(19)4-2-9(15(21)22)17-14(20)12(26-16(17)25)6-8-1-3-10-11(5-8)24-7-23-10/h1,3,5-6,9H,2,4,7H2,(H,18,19)(H,21,22)
C16H13NO7S2395.40693200
5542643

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H13NO7S2/c18-13(19)4-2-9(15(21)22)17-14(20)12(26-16(17)25)6-8-1-3-10-11(5-8)24-7-23-10/h1,3,5-6,9H,2,4,7H2,(H,18,19)(H,21,22)/b12-6-/t9-/m1/s1
C16H13NO7S2395.40692100
5542639

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H13NO7S2/c18-13(19)4-2-9(15(21)22)17-14(20)12(26-16(17)25)6-8-1-3-10-11(5-8)24-7-23-10/h1,3,5-6,9H,2,4,7H2,(H,18,19)(H,21,22)/b12-6-/t9-/m0/s1
C16H13NO7S2395.40692100
5542642

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H13NO7S2/c18-13(19)4-2-9(15(21)22)17-14(20)12(26-16(17)25)6-8-1-3-10-11(5-8)24-7-23-10/h1,3,5-6,9H,2,4,7H2,(H,18,19)(H,21,22)/p-2/b12-6-/t9-/m1/s1
C16H11NO7S2393.39211100
5542638

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H13NO7S2/c18-13(19)4-2-9(15(21)22)17-14(20)12(26-16(17)25)6-8-1-3-10-11(5-8)24-7-23-10/h1,3,5-6,9H,2,4,7H2,(H,18,19)(H,21,22)/p-2/b12-6-/t9-/m0/s1
C16H11NO7S2393.39211100

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