3-butoxy-4-oxidanyl-5-(phenylsulfanylmethyl)benzaldehyde

Systemtic Name: 3-butoxy-4-oxidanyl-5-(phenylsulfanylmethyl)benzaldehyde Openeye Name: 3-butoxy-4-hydroxy-5-(phenylsulfanylmethyl)benzaldehyde CAS Name: 3-butoxy-4-hydroxy-5-[(phenylthio)methyl]benzaldehyde IUPAC Name: 3-butoxy-4-hydroxy-5-(phenylsulfanylmethyl)benzaldehyde Traditional Name: 3-butoxy-4-hydroxy-5-[(phenylthio)methyl]benzaldehyde Formula: C18H20O3S MolecularWeight: 316.4146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC(=C1O)CSC2=CC=CC=C2)C=O

Isomeric SMILES

CCCCOC1=CC(=CC(=C1O)CSC2=CC=CC=C2)C=O

InChI

InChI=1S/C18H20O3S/c1-2-3-9-21-17-11-14(12-19)10-15(18(17)20)13-22-16-7-5-4-6-8-16/h4-8,10-12,20H,2-3,9,13H2,1H3