methyl 4-(8-tert-butylsulfanyl-5,5-dimethyl-6H-anthracen-2-yl)benzoate

Systemtic Name: methyl 4-(8-tert-butylsulfanyl-5,5-dimethyl-6H-anthracen-2-yl)benzoate Openeye Name: methyl 4-(8-tert-butylsulfanyl-5,5-dimethyl-6H-anthracen-2-yl)benzoate CAS Name: 4-[8-(tert-butylthio)-5,5-dimethyl-6H-anthracen-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-(8-tert-butylsulfanyl-5,5-dimethyl-6H-anthracen-2-yl)benzoate Traditional Name: 4-[8-(tert-butylthio)-5,5-dimethyl-6H-anthracen-2-yl]benzoic acid methyl ester Formula: C28H30O2S MolecularWeight: 430.6016

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=C3C=CC(=CC3=C2)C4=CC=C(C=C4)C(=O)OC)SC(C)(C)C)C

Isomeric SMILES

CC1(CC=C(C2=C1C=C3C=CC(=CC3=C2)C4=CC=C(C=C4)C(=O)OC)SC(C)(C)C)C

InChI

InChI=1S/C28H30O2S/c1-27(2,3)31-25-13-14-28(4,5)24-17-21-12-11-20(15-22(21)16-23(24)25)18-7-9-19(10-8-18)26(29)30-6/h7-13,15-17H,14H2,1-6H3