5-(2-ethynylphenyl)pent-4-ynyl 4-methylbenzenesulfonate

Systemtic Name: 5-(2-ethynylphenyl)pent-4-ynyl 4-methylbenzenesulfonate Openeye Name: 5-(2-ethynylphenyl)pent-4-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-(2-ethynylphenyl)pent-4-ynyl ester IUPAC Name: 5-(2-ethynylphenyl)pent-4-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 5-(2-ethynylphenyl)pent-4-ynyl ester Formula: C20H18O3S MolecularWeight: 338.42012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC#CC2=CC=CC=C2C#C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC#CC2=CC=CC=C2C#C

InChI

InChI=1S/C20H18O3S/c1-3-18-9-6-7-11-19(18)10-5-4-8-16-23-24(21,22)20-14-12-17(2)13-15-20/h1,6-7,9,11-15H,4,8,16H2,2H3