11-naphthalen-2-ylsulfonylundeca-2,9-diynyl 9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: 11-naphthalen-2-ylsulfonylundeca-2,9-diynyl 9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: 11-(2-naphthylsulfonyl)undeca-2,9-diynyl 9,10-dioxoanthracene-2-carboxylate CAS Name: 9,10-dioxo-2-anthracenecarboxylic acid 11-(2-naphthalenylsulfonyl)undeca-2,9-diynyl ester IUPAC Name: 11-naphthalen-2-ylsulfonylundeca-2,9-diynyl 9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketoanthracene-2-carboxylic acid 11-(2-naphthylsulfonyl)undeca-2,9-diynyl ester Formula: C36H28O6S MolecularWeight: 588.66892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)CC#CCCCCCC#CCOC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)CC#CCCCCCC#CCOC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C36H28O6S/c37-34-30-16-10-11-17-31(30)35(38)33-25-28(19-21-32(33)34)36(39)42-22-12-6-4-2-1-3-5-7-13-23-43(40,41)29-20-18-26-14-8-9-15-27(26)24-29/h8-11,14-21,24-25H,1-5,22-23H2