3-(hydroxymethyl)-7-[[3-(4-oxidanylthian-2-yl)phenyl]methoxy]-4-phenyl-naphthalene-2-carboxylic acid

Systemtic Name: 3-(hydroxymethyl)-7-[[3-(4-oxidanylthian-2-yl)phenyl]methoxy]-4-phenyl-naphthalene-2-carboxylic acid Openeye Name: 3-(hydroxymethyl)-7-[[3-(4-hydroxytetrahydrothiopyran-2-yl)phenyl]methoxy]-4-phenyl-naphthalene-2-carboxylic acid CAS Name: 3-(hydroxymethyl)-7-[[3-(4-hydroxy-2-thianyl)phenyl]methoxy]-4-phenyl-2-naphthalenecarboxylic acid IUPAC Name: 3-(hydroxymethyl)-7-[[3-(4-hydroxythian-2-yl)phenyl]methoxy]-4-phenylnaphthalene-2-carboxylic acid Traditional Name: 7-[3-(4-hydroxytetrahydrothiopyran-2-yl)benzyl]oxy-3-methylol-4-phenyl-2-naphthoic acid Formula: C30H28O5S MolecularWeight: 500.60532

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(CC1O)C2=CC(=CC=C2)COC3=CC4=CC(=C(C(=C4C=C3)C5=CC=CC=C5)CO)C(=O)O

Isomeric SMILES

C1CSC(CC1O)C2=CC(=CC=C2)COC3=CC4=CC(=C(C(=C4C=C3)C5=CC=CC=C5)CO)C(=O)O

InChI

InChI=1S/C30H28O5S/c31-17-27-26(30(33)34)15-22-14-24(9-10-25(22)29(27)20-6-2-1-3-7-20)35-18-19-5-4-8-21(13-19)28-16-23(32)11-12-36-28/h1-10,13-15,23,28,31-32H,11-12,16-18H2,(H,33,34)