but-2-ynoxybenzene; 7-cyano-4-sulfonyl-heptanoic acid

Systemtic Name: but-2-ynoxybenzene; 7-cyano-4-sulfonyl-heptanoic acid Openeye Name: but-2-ynoxybenzene; 7-cyano-4-sulfonyl-heptanoic acid CAS Name: but-2-ynoxybenzene; 7-cyano-4-sulfonylheptanoic acid IUPAC Name: but-2-ynoxybenzene; 7-cyano-4-sulfonylheptanoic acid Traditional Name: but-2-ynoxybenzene; 7-cyano-4-sulfonyl-enanthic acid Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10O.C8H11NO4S/c1-2-3-9-11-10-7-5-4-6-8-10;9-6-2-1-3-7(14(12)13)4-5-8(10)11/h4-8H,9H2,1H3;1-5H2,(H,10,11)