(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C32H30O3S MolecularWeight: 494.6438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O)C)C(C)(C)C

InChI

InChI=1S/C32H30O3S/c1-19-15-21(32(3,4)5)16-20(2)27(19)17-35-29(33)18-36-28-14-13-23-22-9-6-7-10-24(22)31(34)26-12-8-11-25(28)30(23)26/h6-16H,17-18H2,1-5H3