11-(phenylsulfonyl)undeca-2,9-diynyl anthracene-1-carboxylate

Systemtic Name: 11-(phenylsulfonyl)undeca-2,9-diynyl anthracene-1-carboxylate Openeye Name: 11-(benzenesulfonyl)undeca-2,9-diynyl anthracene-1-carboxylate CAS Name: 1-anthracenecarboxylic acid 11-(benzenesulfonyl)undeca-2,9-diynyl ester IUPAC Name: 11-(benzenesulfonyl)undeca-2,9-diynyl anthracene-1-carboxylate Traditional Name: anthracene-1-carboxylic acid 11-besylundeca-2,9-diynyl ester Formula: C32H28O4S MolecularWeight: 508.62732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC#CCCCCCC#CCOC(=O)C2=CC=CC3=CC4=CC=CC=C4C=C32

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC#CCCCCCC#CCOC(=O)C2=CC=CC3=CC4=CC=CC=C4C=C32

InChI

InChI=1S/C32H28O4S/c33-32(30-21-15-18-28-24-26-16-11-12-17-27(26)25-31(28)30)36-22-13-6-4-2-1-3-5-7-14-23-37(34,35)29-19-9-8-10-20-29/h8-12,15-21,24-25H,1-5,22-23H2