sodium 5-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]thiophen-2-yl]methoxy]pyridine-3-carboxylate

Systemtic Name: sodium 5-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]thiophen-2-yl]methoxy]pyridine-3-carboxylate Openeye Name: sodium 5-[[4-[4-[[4-(1-propylbutyl)phenoxy]methyl]phenyl]-2-thienyl]methoxy]pyridine-3-carboxylate CAS Name: sodium 5-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]-2-thiophenyl]methoxy]-3-pyridinecarboxylate IUPAC Name: sodium 5-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]thiophen-2-yl]methoxy]pyridine-3-carboxylate Traditional Name: sodium 5-[[4-[4-[[4-(1-propylbutyl)phenoxy]methyl]phenyl]-2-thienyl]methoxy]nicotinate Formula: C31H32NNaO4S MolecularWeight: 537.64485

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=CSC(=C3)COC4=CN=CC(=C4)C(=O)[O-].[Na+]

Isomeric SMILES

CCCC(CCC)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=CSC(=C3)COC4=CN=CC(=C4)C(=O)[O-].[Na+]

InChI

InChI=1S/C31H33NO4S.Na/c1-3-5-23(6-4-2)24-11-13-28(14-12-24)35-19-22-7-9-25(10-8-22)27-16-30(37-21-27)20-36-29-15-26(31(33)34)17-32-18-29;/h7-18,21,23H,3-6,19-20H2,1-2H3,(H,33,34);/q;+1/p-1