(Z)-6-methanoyl-2,4-dimethyl-7-oxidanyl-3-phenylsulfanyl-oct-2-enoic acid

Systemtic Name: (Z)-6-methanoyl-2,4-dimethyl-7-oxidanyl-3-phenylsulfanyl-oct-2-enoic acid Openeye Name: (Z)-6-formyl-7-hydroxy-2,4-dimethyl-3-phenylsulfanyl-oct-2-enoic acid CAS Name: (Z)-6-formyl-7-hydroxy-2,4-dimethyl-3-(phenylthio)-2-octenoic acid IUPAC Name: (Z)-6-formyl-7-hydroxy-2,4-dimethyl-3-phenylsulfanyloct-2-enoic acid Traditional Name: (Z)-6-formyl-7-hydroxy-2,4-dimethyl-3-(phenylthio)oct-2-enoic acid Formula: C17H22O4S MolecularWeight: 322.41918

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C=O)C(C)O)C(=C(C)C(=O)O)SC1=CC=CC=C1

Isomeric SMILES

CC(CC(C=O)C(C)O)/C(=C(\C)/C(=O)O)/SC1=CC=CC=C1

InChI

InChI=1S/C17H22O4S/c1-11(9-14(10-18)13(3)19)16(12(2)17(20)21)22-15-7-5-4-6-8-15/h4-8,10-11,13-14,19H,9H2,1-3H3,(H,20,21)/b16-12-