4-[2-(hydroxymethyl)-3-oxidanyl-propoxy]-2-methoxy-5-thiophen-2-yl-benzaldehyde

Systemtic Name: 4-[2-(hydroxymethyl)-3-oxidanyl-propoxy]-2-methoxy-5-thiophen-2-yl-benzaldehyde Openeye Name: 4-[3-hydroxy-2-(hydroxymethyl)propoxy]-2-methoxy-5-(2-thienyl)benzaldehyde CAS Name: 4-[3-hydroxy-2-(hydroxymethyl)propoxy]-2-methoxy-5-thiophen-2-ylbenzaldehyde IUPAC Name: 4-[3-hydroxy-2-(hydroxymethyl)propoxy]-2-methoxy-5-thiophen-2-ylbenzaldehyde Traditional Name: 4-(3-hydroxy-2-methylol-propoxy)-2-methoxy-5-(2-thienyl)benzaldehyde Formula: C16H18O5S MolecularWeight: 322.37612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)OCC(CO)CO)C2=CC=CS2)C=O

Isomeric SMILES

COC1=C(C=C(C(=C1)OCC(CO)CO)C2=CC=CS2)C=O

InChI

InChI=1S/C16H18O5S/c1-20-14-6-15(21-10-11(7-17)8-18)13(5-12(14)9-19)16-3-2-4-22-16/h2-6,9,11,17-18H,7-8,10H2,1H3