2-[2-hexa-1,3,5-triynoxy-5-hexoxy-4-(5-methylthiophen-2-yl)phenyl]-5-methyl-thiophene

Systemtic Name: 2-[2-hexa-1,3,5-triynoxy-5-hexoxy-4-(5-methylthiophen-2-yl)phenyl]-5-methyl-thiophene Openeye Name: 2-[2-hexa-1,3,5-triynoxy-5-hexoxy-4-(5-methyl-2-thienyl)phenyl]-5-methyl-thiophene CAS Name: 2-[2-hexa-1,3,5-triynoxy-5-hexoxy-4-(5-methyl-2-thiophenyl)phenyl]-5-methylthiophene IUPAC Name: 2-[2-hexa-1,3,5-triynoxy-5-hexoxy-4-(5-methylthiophen-2-yl)phenyl]-5-methylthiophene Traditional Name: 2-[2-hexa-1,3,5-triynoxy-5-hexoxy-4-(5-methyl-2-thienyl)phenyl]-5-methyl-thiophene Formula: C28H26O2S2 MolecularWeight: 458.63484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=C(C=C1C2=CC=C(S2)C)OC#CC#CC#C)C3=CC=C(S3)C

Isomeric SMILES

CCCCCCOC1=CC(=C(C=C1C2=CC=C(S2)C)OC#CC#CC#C)C3=CC=C(S3)C

InChI

InChI=1S/C28H26O2S2/c1-5-7-9-11-17-29-25-19-24(28-16-14-22(4)32-28)26(30-18-12-10-8-6-2)20-23(25)27-15-13-21(3)31-27/h1,13-16,19-20H,6,8,10,12,18H2,2-4H3