4-[(E)-3-[4-[(4-fluorophenyl)methylsulfanyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-3-oxidanylidene-prop-1-enyl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[(E)-3-[4-[(4-fluorophenyl)methylsulfanyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-3-oxidanylidene-prop-1-enyl]-2-oxidanyl-benzoic acid Openeye Name: 4-[(E)-3-[8-[(4-fluorophenyl)methylsulfanyl]-1,1,4,4-tetramethyl-tetralin-6-yl]-3-oxo-prop-1-enyl]-2-hydroxy-benzoic acid CAS Name: 4-[(E)-3-[4-[(4-fluorophenyl)methylthio]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-3-oxoprop-1-enyl]-2-hydroxybenzoic acid IUPAC Name: 4-[(E)-3-[4-[(4-fluorophenyl)methylsulfanyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-3-oxoprop-1-enyl]-2-hydroxybenzoic acid Traditional Name: 4-[(E)-3-[8-[(4-fluorobenzyl)thio]-1,1,4,4-tetramethyl-tetralin-6-yl]-3-keto-prop-1-enyl]-2-hydroxy-benzoic acid Formula: C31H31FO4S MolecularWeight: 518.638843

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=C(C=C2SCC3=CC=C(C=C3)F)C(=O)C=CC4=CC(=C(C=C4)C(=O)O)O)(C)C)C

Isomeric SMILES

CC1(CCC(C2=C1C=C(C=C2SCC3=CC=C(C=C3)F)C(=O)/C=C/C4=CC(=C(C=C4)C(=O)O)O)(C)C)C

InChI

InChI=1S/C31H31FO4S/c1-30(2)13-14-31(3,4)28-24(30)16-21(17-27(28)37-18-20-5-9-22(32)10-6-20)25(33)12-8-19-7-11-23(29(35)36)26(34)15-19/h5-12,15-17,34H,13-14,18H2,1-4H3,(H,35,36)/b12-8+