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10-(phenylsulfonyl)deca-2,8-diynyl anthracene-1-carboxylate

10-(phenylsulfonyl)deca-2,8-diynyl anthracene-1-carboxylate

Systemtic Name:10-(phenylsulfonyl)deca-2,8-diynyl anthracene-1-carboxylate
Openeye Name:10-(benzenesulfonyl)deca-2,8-diynyl anthracene-1-carboxylate
CAS Name:1-anthracenecarboxylic acid 10-(benzenesulfonyl)deca-2,8-diynyl ester
IUPAC Name:10-(benzenesulfonyl)deca-2,8-diynyl anthracene-1-carboxylate
Traditional Name:anthracene-1-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=CC=CC3=CC4=CC=CC=C4C=C32


Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC#CCCCCC#CCOC(=O)C2=CC=CC3=CC4=CC=CC=C4C=C32


InChI

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


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