[(6Z)-1-thiacyclodec-6-en-3,8-diyn-5-yl] 7-methoxy-5-methyl-2-oxidanyl-naphthalene-1-carboxylate

Systemtic Name: [(6Z)-1-thiacyclodec-6-en-3,8-diyn-5-yl] 7-methoxy-5-methyl-2-oxidanyl-naphthalene-1-carboxylate Openeye Name: [(6Z)-1-thiacyclodec-6-en-3,8-diyn-5-yl] 2-hydroxy-7-methoxy-5-methyl-naphthalene-1-carboxylate CAS Name: 2-hydroxy-7-methoxy-5-methyl-1-naphthalenecarboxylic acid [(6Z)-1-thiacyclodec-6-en-3,8-diyn-5-yl] ester IUPAC Name: [(6Z)-1-thiacyclodec-6-en-3,8-diyn-5-yl] 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate Traditional Name: 2-hydroxy-7-methoxy-5-methyl-naphthalene-1-carboxylic acid [(6Z)-1-thiacyclodec-6-en-3,8-diyn-5-yl] ester Formula: C22H18O4S MolecularWeight: 378.44092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=C(C2=CC(=C1)OC)C(=O)OC3C=CC#CCSCC#C3)O

Isomeric SMILES

CC1=C2C=CC(=C(C2=CC(=C1)OC)C(=O)OC3/C=C\C#CCSCC#C3)O

InChI

InChI=1S/C22H18O4S/c1-15-13-17(25-2)14-19-18(15)9-10-20(23)21(19)22(24)26-16-7-4-3-5-11-27-12-6-8-16/h4,7,9-10,13-14,16,23H,11-12H2,1-2H3/b7-4-