3,4-bis(butylsulfanyl)-1-methoxy-2-(methoxymethoxy)-5-[(E)-2-nitroethenyl]benzene

Systemtic Name: 3,4-bis(butylsulfanyl)-1-methoxy-2-(methoxymethoxy)-5-[(E)-2-nitroethenyl]benzene Openeye Name: 3,4-bis(butylsulfanyl)-1-methoxy-2-(methoxymethoxy)-5-[(E)-2-nitrovinyl]benzene CAS Name: 3,4-bis(butylthio)-1-methoxy-2-(methoxymethoxy)-5-[(E)-2-nitroethenyl]benzene IUPAC Name: 3,4-bis(butylsulfanyl)-1-methoxy-2-(methoxymethoxy)-5-[(E)-2-nitroethenyl]benzene Traditional Name: 3,4-bis(butylthio)-1-methoxy-2-(methoxymethoxy)-5-[(E)-2-nitrovinyl]benzene Formula: C19H29NO5S2 MolecularWeight: 415.56726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(=C(C=C1C=C[N+](=O)[O-])OC)OCOC)SCCCC

Isomeric SMILES

CCCCSC1=C(C(=C(C=C1/C=C/[N+](=O)[O-])OC)OCOC)SCCCC

InChI

InChI=1S/C19H29NO5S2/c1-5-7-11-26-18-15(9-10-20(21)22)13-16(24-4)17(25-14-23-3)19(18)27-12-8-6-2/h9-10,13H,5-8,11-12,14H2,1-4H3/b10-9+