(4-cyanophenyl) 4-nonoxybenzoate; methanethiol

Systemtic Name: (4-cyanophenyl) 4-nonoxybenzoate; methanethiol Openeye Name: (4-cyanophenyl) 4-nonoxybenzoate; methanethiol CAS Name: methanethiol; 4-nonoxybenzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-nonoxybenzoate; methanethiol Traditional Name: methanethiol; 4-nonoxybenzoic acid (4-cyanophenyl) ester Formula: C24H31NO3S MolecularWeight: 413.57284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N.CS

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N.CS

InChI

InChI=1S/C23H27NO3.CH4S/c1-2-3-4-5-6-7-8-17-26-21-15-11-20(12-16-21)23(25)27-22-13-9-19(18-24)10-14-22;1-2/h9-16H,2-8,17H2,1H3;2H,1H3