sodium 2-[3-[4-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]butoxy]phenyl]ethanoate

Systemtic Name: sodium 2-[3-[4-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]butoxy]phenyl]ethanoate Openeye Name: sodium 2-[3-[4-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]butoxy]phenyl]acetate CAS Name: sodium 2-[3-[4-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]butoxy]phenyl]acetate IUPAC Name: sodium 2-[3-[4-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]butoxy]phenyl]acetate Traditional Name: sodium 2-[3-[4-(3-phenyl-7-propyl-indoxazen-6-yl)oxybutoxy]phenyl]acetate Formula: C28H28NNaO5 MolecularWeight: 481.51539

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1ON=C2C3=CC=CC=C3)OCCCCOC4=CC=CC(=C4)CC(=O)[O-].[Na+]

Isomeric SMILES

CCCC1=C(C=CC2=C1ON=C2C3=CC=CC=C3)OCCCCOC4=CC=CC(=C4)CC(=O)[O-].[Na+]

InChI

InChI=1S/C28H29NO5.Na/c1-2-9-23-25(15-14-24-27(29-34-28(23)24)21-11-4-3-5-12-21)33-17-7-6-16-32-22-13-8-10-20(18-22)19-26(30)31;/h3-5,8,10-15,18H,2,6-7,9,16-17,19H2,1H3,(H,30,31);/q;+1/p-1