4-[(E)-2-[4-(5,7-dihexyl-1-benzothiophen-2-yl)-2-pentyl-phenyl]ethenyl]-3-methyl-benzoic acid

Systemtic Name: 4-[(E)-2-[4-(5,7-dihexyl-1-benzothiophen-2-yl)-2-pentyl-phenyl]ethenyl]-3-methyl-benzoic acid Openeye Name: 4-[(E)-2-[4-(5,7-dihexylbenzothiophen-2-yl)-2-pentyl-phenyl]vinyl]-3-methyl-benzoic acid CAS Name: 4-[(E)-2-[4-(5,7-dihexyl-1-benzothiophen-2-yl)-2-pentylphenyl]ethenyl]-3-methylbenzoic acid IUPAC Name: 4-[(E)-2-[4-(5,7-dihexyl-1-benzothiophen-2-yl)-2-pentylphenyl]ethenyl]-3-methylbenzoic acid Traditional Name: 4-[(E)-2-[2-amyl-4-(5,7-dihexylbenzothiophen-2-yl)phenyl]vinyl]-3-methyl-benzoic acid Formula: C41H52O2S MolecularWeight: 608.91538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C2C(=C1)C=C(S2)C3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)C(=O)O)C)CCCCC)CCCCCC

Isomeric SMILES

CCCCCCC1=CC(=C2C(=C1)C=C(S2)C3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)C(=O)O)C)CCCCC)CCCCCC

InChI

InChI=1S/C41H52O2S/c1-5-8-11-14-16-31-26-36(18-15-12-9-6-2)40-38(27-31)29-39(44-40)35-23-22-33(34(28-35)17-13-10-7-3)21-19-32-20-24-37(41(42)43)25-30(32)4/h19-29H,5-18H2,1-4H3,(H,42,43)/b21-19+