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

Systemtic Name: 3-(hydroxymethyl)-7-[[3-(4-oxidanyloxan-2-yl)phenyl]methoxy]-4-thiophen-3-yl-naphthalene-2-carboxylic acid Openeye Name: 3-(hydroxymethyl)-7-[[3-(4-hydroxytetrahydropyran-2-yl)phenyl]methoxy]-4-(3-thienyl)naphthalene-2-carboxylic acid CAS Name: 3-(hydroxymethyl)-7-[[3-(4-hydroxy-2-oxanyl)phenyl]methoxy]-4-(3-thiophenyl)-2-naphthalenecarboxylic acid IUPAC Name: 3-(hydroxymethyl)-7-[[3-(4-hydroxyoxan-2-yl)phenyl]methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid Traditional Name: 7-[3-(4-hydroxytetrahydropyran-2-yl)benzyl]oxy-3-methylol-4-(3-thienyl)-2-naphthoic acid Formula: C28H26O6S MolecularWeight: 490.56744

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CC1O)C2=CC(=CC=C2)COC3=CC4=CC(=C(C(=C4C=C3)C5=CSC=C5)CO)C(=O)O

Isomeric SMILES

C1COC(CC1O)C2=CC(=CC=C2)COC3=CC4=CC(=C(C(=C4C=C3)C5=CSC=C5)CO)C(=O)O

InChI

InChI=1S/C28H26O6S/c29-14-25-24(28(31)32)12-20-11-22(4-5-23(20)27(25)19-7-9-35-16-19)34-15-17-2-1-3-18(10-17)26-13-21(30)6-8-33-26/h1-5,7,9-12,16,21,26,29-30H,6,8,13-15H2,(H,31,32)