11-naphthalen-2-ylsulfonylundeca-2,9-diynyl anthracene-2-carboxylate

Systemtic Name: 11-naphthalen-2-ylsulfonylundeca-2,9-diynyl anthracene-2-carboxylate Openeye Name: 11-(2-naphthylsulfonyl)undeca-2,9-diynyl anthracene-2-carboxylate CAS Name: 2-anthracenecarboxylic acid 11-(2-naphthalenylsulfonyl)undeca-2,9-diynyl ester IUPAC Name: 11-naphthalen-2-ylsulfonylundeca-2,9-diynyl anthracene-2-carboxylate Traditional Name: anthracene-2-carboxylic acid 11-(2-naphthylsulfonyl)undeca-2,9-diynyl ester Formula: C36H30O4S MolecularWeight: 558.686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)CC#CCCCCCC#CCOC(=O)C3=CC4=CC5=CC=CC=C5C=C4C=C3

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)CC#CCCCCCC#CCOC(=O)C3=CC4=CC5=CC=CC=C5C=C4C=C3

InChI

InChI=1S/C36H30O4S/c37-36(33-19-18-32-24-29-15-10-11-16-30(29)25-34(32)26-33)40-22-12-6-4-2-1-3-5-7-13-23-41(38,39)35-21-20-28-14-8-9-17-31(28)27-35/h8-11,14-21,24-27H,1-5,22-23H2