hexadecan-2-one; 2-[3-(4-pentoxyphenyl)thiophen-2-yl]-5-thiophen-2-yl-thiophene

Systemtic Name: hexadecan-2-one; 2-[3-(4-pentoxyphenyl)thiophen-2-yl]-5-thiophen-2-yl-thiophene Openeye Name: hexadecan-2-one; 2-[3-(4-pentoxyphenyl)-2-thienyl]-5-(2-thienyl)thiophene CAS Name: 2-hexadecanone; 2-[3-(4-pentoxyphenyl)-2-thiophenyl]-5-thiophen-2-ylthiophene IUPAC Name: hexadecan-2-one; 2-[3-(4-pentoxyphenyl)thiophen-2-yl]-5-thiophen-2-ylthiophene Traditional Name: 2-[3-(4-amoxyphenyl)-2-thienyl]-5-(2-thienyl)thiophene; hexadecan-2-one Formula: C39H54O2S3 MolecularWeight: 651.03986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=O)C.CCCCCOC1=CC=C(C=C1)C2=C(SC=C2)C3=CC=C(S3)C4=CC=CS4

Isomeric SMILES

CCCCCCCCCCCCCCC(=O)C.CCCCCOC1=CC=C(C=C1)C2=C(SC=C2)C3=CC=C(S3)C4=CC=CS4

InChI

InChI=1S/C23H22OS3.C16H32O/c1-2-3-4-14-24-18-9-7-17(8-10-18)19-13-16-26-23(19)22-12-11-21(27-22)20-6-5-15-25-20;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h5-13,15-16H,2-4,14H2,1H3;3-15H2,1-2H3