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

Systemtic Name: propyl 4-[(E)-2-[4-(5,7-dihexyl-1-benzothiophen-2-yl)-2-pentyl-phenyl]ethenyl]-3-methyl-benzoate Openeye Name: propyl 4-[(E)-2-[4-(5,7-dihexylbenzothiophen-2-yl)-2-pentyl-phenyl]vinyl]-3-methyl-benzoate CAS Name: 4-[(E)-2-[4-(5,7-dihexyl-1-benzothiophen-2-yl)-2-pentylphenyl]ethenyl]-3-methylbenzoic acid propyl ester IUPAC Name: propyl 4-[(E)-2-[4-(5,7-dihexyl-1-benzothiophen-2-yl)-2-pentylphenyl]ethenyl]-3-methylbenzoate Traditional Name: 4-[(E)-2-[2-amyl-4-(5,7-dihexylbenzothiophen-2-yl)phenyl]vinyl]-3-methyl-benzoic acid propyl ester Formula: C44H58O2S MolecularWeight: 650.99512

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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)OCCC)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)OCCC)C)CCCCC)CCCCCC

InChI

InChI=1S/C44H58O2S/c1-6-10-13-16-18-34-29-39(20-17-14-11-7-2)43-41(30-34)32-42(47-43)38-25-24-36(37(31-38)19-15-12-8-3)23-21-35-22-26-40(28-33(35)5)44(45)46-27-9-4/h21-26,28-32H,6-20,27H2,1-5H3/b23-21+