3-[(2Z)-2-[(4-octoxyphenyl)methylidene]-3-oxidanylidene-1-benzothiophen-5-yl]propanoic acid

Systemtic Name: 3-[(2Z)-2-[(4-octoxyphenyl)methylidene]-3-oxidanylidene-1-benzothiophen-5-yl]propanoic acid Openeye Name: 3-[(2Z)-2-[(4-octoxyphenyl)methylene]-3-oxo-benzothiophen-5-yl]propanoic acid CAS Name: 3-[(2Z)-2-[(4-octoxyphenyl)methylidene]-3-oxo-1-benzothiophen-5-yl]propanoic acid IUPAC Name: 3-[(2Z)-2-[(4-octoxyphenyl)methylidene]-3-oxo-1-benzothiophen-5-yl]propanoic acid Traditional Name: 3-[(2Z)-3-keto-2-(4-octoxybenzylidene)benzothiophen-5-yl]propionic acid Formula: C26H30O4S MolecularWeight: 438.579

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)C3=C(S2)C=CC(=C3)CCC(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(S2)C=CC(=C3)CCC(=O)O

InChI

InChI=1S/C26H30O4S/c1-2-3-4-5-6-7-16-30-21-12-8-20(9-13-21)18-24-26(29)22-17-19(11-15-25(27)28)10-14-23(22)31-24/h8-10,12-14,17-18H,2-7,11,15-16H2,1H3,(H,27,28)/b24-18-