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9-(phenylsulfonyl)nona-2,7-diynyl anthracene-1-carboxylate

9-(phenylsulfonyl)nona-2,7-diynyl anthracene-1-carboxylate

Systemtic Name:9-(phenylsulfonyl)nona-2,7-diynyl anthracene-1-carboxylate
Openeye Name:9-(benzenesulfonyl)nona-2,7-diynyl anthracene-1-carboxylate
CAS Name:1-anthracenecarboxylic acid 9-(benzenesulfonyl)nona-2,7-diynyl ester
IUPAC Name:9-(benzenesulfonyl)nona-2,7-diynyl anthracene-1-carboxylate
Traditional Name:anthracene-1-carboxylic acid 9-besylnona-2,7-diynyl ester
Formula: C30H24O4S
MolecularWeight: 480.57416
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C30H24O4S/c31-30(28-19-13-16-26-22-24-14-9-10-15-25(24)23-29(26)28)34-20-11-4-2-1-3-5-12-21-35(32,33)27-17-7-6-8-18-27/h6-10,13-19,22-23H,1-3,20-21H2


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