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

Systemtic Name: 11-(phenylsulfonyl)undeca-2,9-diynyl anthracene-2-carboxylate Openeye Name: 11-(benzenesulfonyl)undeca-2,9-diynyl anthracene-2-carboxylate CAS Name: 2-anthracenecarboxylic acid 11-(benzenesulfonyl)undeca-2,9-diynyl ester IUPAC Name: 11-(benzenesulfonyl)undeca-2,9-diynyl anthracene-2-carboxylate Traditional Name: anthracene-2-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=CC3=CC4=CC=CC=C4C=C3C=C2

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC#CCCCCCC#CCOC(=O)C2=CC3=CC4=CC=CC=C4C=C3C=C2

InChI

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