8-[2-(hydroxymethyl)phenyl]sulfanylnaphthalene-1-carboxylate

Systemtic Name: 8-[2-(hydroxymethyl)phenyl]sulfanylnaphthalene-1-carboxylate Openeye Name: 8-[2-(hydroxymethyl)phenyl]sulfanylnaphthalene-1-carboxylate CAS Name: 8-[[2-(hydroxymethyl)phenyl]thio]-1-naphthalenecarboxylate IUPAC Name: 8-[2-(hydroxymethyl)phenyl]sulfanylnaphthalene-1-carboxylate Traditional Name: 8-[(2-methylolphenyl)thio]-1-naphthoate Formula: C18H13O3S- MolecularWeight: 309.35902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CO)SC2=CC=CC3=C2C(=CC=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CO)SC2=CC=CC3=C2C(=CC=C3)C(=O)[O-]

InChI

InChI=1S/C18H14O3S/c19-11-13-5-1-2-9-15(13)22-16-10-4-7-12-6-3-8-14(17(12)16)18(20)21/h1-10,19H,11H2,(H,20,21)/p-1