ethyl 4-[10-phenyl-4-(phenylsulfonyl)deca-2,3-dien-9-yn-2-yl]benzoate

Systemtic Name: ethyl 4-[10-phenyl-4-(phenylsulfonyl)deca-2,3-dien-9-yn-2-yl]benzoate Openeye Name: ethyl 4-[3-(benzenesulfonyl)-1-methyl-9-phenyl-nona-1,2-dien-8-ynyl]benzoate CAS Name: 4-[4-(benzenesulfonyl)-10-phenyldeca-2,3-dien-9-yn-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(benzenesulfonyl)-10-phenyldeca-2,3-dien-9-yn-2-yl]benzoate Traditional Name: 4-(3-besyl-1-methyl-9-phenyl-nona-1,2-dien-8-ynyl)benzoic acid ethyl ester Formula: C31H30O4S MolecularWeight: 498.6325

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(=C=C(CCCCC#CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(=C=C(CCCCC#CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C31H30O4S/c1-3-35-31(32)28-22-20-27(21-23-28)25(2)24-30(36(33,34)29-17-12-7-13-18-29)19-11-5-4-8-14-26-15-9-6-10-16-26/h6-7,9-10,12-13,15-18,20-23H,3-5,11,19H2,1-2H3