4-[(Z)-2-methyl-7-oxidanyl-5,7-bis(oxidanylidene)-4-propyl-6-sulfanyl-hept-3-en-3-yl]benzoic acid

Systemtic Name: 4-[(Z)-2-methyl-7-oxidanyl-5,7-bis(oxidanylidene)-4-propyl-6-sulfanyl-hept-3-en-3-yl]benzoic acid Openeye Name: 4-[(Z)-5-hydroxy-1-isopropyl-3,5-dioxo-2-propyl-4-sulfanyl-pent-1-enyl]benzoic acid CAS Name: 4-[(Z)-7-hydroxy-6-mercapto-2-methyl-5,7-dioxo-4-propylhept-3-en-3-yl]benzoic acid IUPAC Name: 4-[(Z)-7-hydroxy-2-methyl-5,7-dioxo-4-propyl-6-sulfanylhept-3-en-3-yl]benzoic acid Traditional Name: 4-[(Z)-5-hydroxy-1-isopropyl-3,5-diketo-4-mercapto-2-propyl-pent-1-enyl]benzoic acid Formula: C18H22O5S MolecularWeight: 350.42928

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C(C1=CC=C(C=C1)C(=O)O)C(C)C)C(=O)C(C(=O)O)S

Isomeric SMILES

CCC/C(=C(/C1=CC=C(C=C1)C(=O)O)\C(C)C)/C(=O)C(C(=O)O)S

InChI

InChI=1S/C18H22O5S/c1-4-5-13(15(19)16(24)18(22)23)14(10(2)3)11-6-8-12(9-7-11)17(20)21/h6-10,16,24H,4-5H2,1-3H3,(H,20,21)(H,22,23)/b14-13-