10-(phenylsulfonyl)deca-2,8-diynyl 9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: 10-(phenylsulfonyl)deca-2,8-diynyl 9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: 10-(benzenesulfonyl)deca-2,8-diynyl 9,10-dioxoanthracene-2-carboxylate CAS Name: 9,10-dioxo-2-anthracenecarboxylic acid 10-(benzenesulfonyl)deca-2,8-diynyl ester IUPAC Name: 10-(benzenesulfonyl)deca-2,8-diynyl 9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketoanthracene-2-carboxylic acid 10-besyldeca-2,8-diynyl ester Formula: C31H24O6S MolecularWeight: 524.58366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC#CCCCCC#CCOC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC#CCCCCC#CCOC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C31H24O6S/c32-29-25-16-10-11-17-26(25)30(33)28-22-23(18-19-27(28)29)31(34)37-20-12-5-3-1-2-4-6-13-21-38(35,36)24-14-8-7-9-15-24/h7-11,14-19,22H,1-4,20-21H2