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6-hexoxy-2-(4-hexylphenyl)-1-benzothiophene-3-carboxylic acid

6-hexoxy-2-(4-hexylphenyl)-1-benzothiophene-3-carboxylic acid

Systemtic Name:6-hexoxy-2-(4-hexylphenyl)-1-benzothiophene-3-carboxylic acid
Openeye Name:6-hexoxy-2-(4-hexylphenyl)benzothiophene-3-carboxylic acid
CAS Name:6-hexoxy-2-(4-hexylphenyl)-1-benzothiophene-3-carboxylic acid
IUPAC Name:6-hexoxy-2-(4-hexylphenyl)-1-benzothiophene-3-carboxylic acid
Traditional Name:6-hexoxy-2-(4-hexylphenyl)benzothiophene-3-carboxylic acid
Formula: C27H34O3S
MolecularWeight: 438.62206
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OCCCCCC)C(=O)O


Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OCCCCCC)C(=O)O


InChI

InChI=1S/C27H34O3S/c1-3-5-7-9-11-20-12-14-21(15-13-20)26-25(27(28)29)23-17-16-22(19-24(23)31-26)30-18-10-8-6-4-2/h12-17,19H,3-11,18H2,1-2H3,(H,28,29)


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