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 5 results

Search term: XPRSVZMAQWNZLS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4941998

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C26H47NO9S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)27-18-19-35-20-21-36-25(29)22-23(26(30)31)37(32,33)34;;/h9-10,23H,2-8,11-22H2,1H3,(H,27,28)(H,30,31)(H,32,33,34);;/q;2*+1/p-2/b10-9+;;
C26H45NNa2O9S593.68133300
32701347

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C26H47NO9S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)27-18-19-35-20-21-36-25(29)22-23(26(30)31)37(32,33)34;;/h9-10,23H,2-8,11-22H2,1H3,(H,27,28)(H,30,31)(H,32,33,34);;/q;2*+1/p-2/b10-9-;;
C26H45NNa2O9S593.68133500
34988359

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C26H47NO9S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)27-18-19-35-20-21-36-25(29)22-23(26(30)31)37(32,33)34;;/h9-10,23H,2-8,11-22H2,1H3,(H,27,28)(H,30,31)(H,32,33,34);;/q;2*+1/p-2/b10-9-;;/t23-;;/m1../s1
C26H45NNa2O9S593.68131200
34988360

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C26H47NO9S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)27-18-19-35-20-21-36-25(29)22-23(26(30)31)37(32,33)34;;/h9-10,23H,2-8,11-22H2,1H3,(H,27,28)(H,30,31)(H,32,33,34);;/q;2*+1/p-2/b10-9-;;/t23-;;/m0../s1
C26H45NNa2O9S593.68131200
21161680

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C26H47NO9S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)27-18-19-35-20-21-36-25(29)22-23(26(30)31)37(32,33)34;;/h9-10,23H,2-8,11-22H2,1H3,(H,27,28)(H,30,31)(H,32,33,34);;/q;2*+1/p-2/rC26H46NNaO9S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)27-18-19-35-20-21-36-25(30)22-23(26(31)32)38(33,34)37-28;/h9-10,23H,2-8,11-22H2,1H3,(H,27,29)(H,31,32);/q;+1/p-1
C26H45NNa2O9S593.68131100

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