2-[3-(3-methoxyphenyl)prop-2-ynyl]-4-methyl-benzenesulfonic acid

Systemtic Name: 2-[3-(3-methoxyphenyl)prop-2-ynyl]-4-methyl-benzenesulfonic acid Openeye Name: 2-[3-(3-methoxyphenyl)prop-2-ynyl]-4-methyl-benzenesulfonic acid CAS Name: 2-[3-(3-methoxyphenyl)prop-2-ynyl]-4-methylbenzenesulfonic acid IUPAC Name: 2-[3-(3-methoxyphenyl)prop-2-ynyl]-4-methylbenzenesulfonic acid Traditional Name: 2-[3-(3-methoxyphenyl)prop-2-ynyl]-4-methyl-besylic acid Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)CC#CC2=CC(=CC=C2)OC

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)CC#CC2=CC(=CC=C2)OC

InChI

InChI=1S/C17H16O4S/c1-13-9-10-17(22(18,19)20)15(11-13)7-3-5-14-6-4-8-16(12-14)21-2/h4,6,8-12H,7H2,1-2H3,(H,18,19,20)