10-naphthalen-2-ylsulfonyldeca-2,8-diynyl anthracene-2-carboxylate

Systemtic Name: 10-naphthalen-2-ylsulfonyldeca-2,8-diynyl anthracene-2-carboxylate Openeye Name: 10-(2-naphthylsulfonyl)deca-2,8-diynyl anthracene-2-carboxylate CAS Name: 2-anthracenecarboxylic acid 10-(2-naphthalenylsulfonyl)deca-2,8-diynyl ester IUPAC Name: 10-naphthalen-2-ylsulfonyldeca-2,8-diynyl anthracene-2-carboxylate Traditional Name: anthracene-2-carboxylic acid 10-(2-naphthylsulfonyl)deca-2,8-diynyl ester Formula: C35H28O4S MolecularWeight: 544.65942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H28O4S/c36-35(32-18-17-31-23-28-14-9-10-15-29(28)24-33(31)25-32)39-21-11-5-3-1-2-4-6-12-22-40(37,38)34-20-19-27-13-7-8-16-30(27)26-34/h7-10,13-20,23-26H,1-4,21-22H2