[4-(thian-4-yl)phenyl] 4-heptoxybenzoate

Systemtic Name: [4-(thian-4-yl)phenyl] 4-heptoxybenzoate Openeye Name: (4-tetrahydrothiopyran-4-ylphenyl) 4-heptoxybenzoate CAS Name: 4-heptoxybenzoic acid [4-(4-thianyl)phenyl] ester IUPAC Name: [4-(thian-4-yl)phenyl] 4-heptoxybenzoate Traditional Name: 4-heptoxybenzoic acid (4-tetrahydrothiopyran-4-ylphenyl) ester Formula: C25H32O3S MolecularWeight: 412.58478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3CCSCC3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3CCSCC3

InChI

InChI=1S/C25H32O3S/c1-2-3-4-5-6-17-27-23-11-9-22(10-12-23)25(26)28-24-13-7-20(8-14-24)21-15-18-29-19-16-21/h7-14,21H,2-6,15-19H2,1H3