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

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

Systemtic Name:10-(phenylsulfonyl)deca-2,8-diynyl anthracene-2-carboxylate
Openeye Name:10-(benzenesulfonyl)deca-2,8-diynyl anthracene-2-carboxylate
CAS Name:2-anthracenecarboxylic acid 10-(benzenesulfonyl)deca-2,8-diynyl ester
IUPAC Name:10-(benzenesulfonyl)deca-2,8-diynyl anthracene-2-carboxylate
Traditional Name:anthracene-2-carboxylic acid 10-besyldeca-2,8-diynyl ester
Formula: C31H26O4S
MolecularWeight: 494.60074
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C31H26O4S/c32-31(28-19-18-27-22-25-14-10-11-15-26(25)23-29(27)24-28)35-20-12-5-3-1-2-4-6-13-21-36(33,34)30-16-8-7-9-17-30/h7-11,14-19,22-24H,1-4,20-21H2


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