but-2-ynoxybenzene; ethyl 7-cyano-2-sulfonyl-heptanoate

Systemtic Name: but-2-ynoxybenzene; ethyl 7-cyano-2-sulfonyl-heptanoate Openeye Name: but-2-ynoxybenzene; ethyl 7-cyano-2-sulfonyl-heptanoate CAS Name: but-2-ynoxybenzene; 7-cyano-2-sulfonylheptanoic acid ethyl ester IUPAC Name: but-2-ynoxybenzene; ethyl 7-cyano-2-sulfonylheptanoate Traditional Name: but-2-ynoxybenzene; 7-cyano-2-sulfonyl-enanthic acid ethyl ester Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=S(=O)=O)CCCCCC#N.CC#CCOC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(=S(=O)=O)CCCCCC#N.CC#CCOC1=CC=CC=C1

InChI

InChI=1S/C10H15NO4S.C10H10O/c1-2-15-10(12)9(16(13)14)7-5-3-4-6-8-11;1-2-3-9-11-10-7-5-4-6-8-10/h2-7H2,1H3;4-8H,9H2,1H3