methyl 6-butylsulfanyl-4-oxidanyl-5-phenoxy-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: methyl 6-butylsulfanyl-4-oxidanyl-5-phenoxy-cyclohexa-1,4-diene-1-carboxylate Openeye Name: methyl 6-butylsulfanyl-4-hydroxy-5-phenoxy-cyclohexa-1,4-diene-1-carboxylate CAS Name: 6-(butylthio)-4-hydroxy-5-phenoxy-1-cyclohexa-1,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 6-butylsulfanyl-4-hydroxy-5-phenoxycyclohexa-1,4-diene-1-carboxylate Traditional Name: 6-(butylthio)-4-hydroxy-5-phenoxy-cyclohexa-1,4-diene-1-carboxylic acid methyl ester Formula: C18H22O4S MolecularWeight: 334.42988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1C(=CCC(=C1OC2=CC=CC=C2)O)C(=O)OC

Isomeric SMILES

CCCCSC1C(=CCC(=C1OC2=CC=CC=C2)O)C(=O)OC

InChI

InChI=1S/C18H22O4S/c1-3-4-12-23-17-14(18(20)21-2)10-11-15(19)16(17)22-13-8-6-5-7-9-13/h5-10,17,19H,3-4,11-12H2,1-2H3