7-[[3-(1,3-dimethoxycyclobutyl)phenyl]methoxy]-3-(hydroxymethyl)-4-thiophen-3-yl-naphthalene-2-carboxylic acid

Systemtic Name: 7-[[3-(1,3-dimethoxycyclobutyl)phenyl]methoxy]-3-(hydroxymethyl)-4-thiophen-3-yl-naphthalene-2-carboxylic acid Openeye Name: 7-[[3-(1,3-dimethoxycyclobutyl)phenyl]methoxy]-3-(hydroxymethyl)-4-(3-thienyl)naphthalene-2-carboxylic acid CAS Name: 7-[[3-(1,3-dimethoxycyclobutyl)phenyl]methoxy]-3-(hydroxymethyl)-4-(3-thiophenyl)-2-naphthalenecarboxylic acid IUPAC Name: 7-[[3-(1,3-dimethoxycyclobutyl)phenyl]methoxy]-3-(hydroxymethyl)-4-thiophen-3-ylnaphthalene-2-carboxylic acid Traditional Name: 7-[3-(1,3-dimethoxycyclobutyl)benzyl]oxy-3-methylol-4-(3-thienyl)-2-naphthoic acid Formula: C29H28O6S MolecularWeight: 504.59402

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(C1)(C2=CC(=CC=C2)COC3=CC4=CC(=C(C(=C4C=C3)C5=CSC=C5)CO)C(=O)O)OC

Isomeric SMILES

COC1CC(C1)(C2=CC(=CC=C2)COC3=CC4=CC(=C(C(=C4C=C3)C5=CSC=C5)CO)C(=O)O)OC

InChI

InChI=1S/C29H28O6S/c1-33-23-13-29(14-23,34-2)21-5-3-4-18(10-21)16-35-22-6-7-24-20(11-22)12-25(28(31)32)26(15-30)27(24)19-8-9-36-17-19/h3-12,17,23,30H,13-16H2,1-2H3,(H,31,32)