ethyl 4-[5,5-dimethyl-8-(5-methylthiophen-2-yl)-6H-anthracen-1-yl]benzoate

Systemtic Name: ethyl 4-[5,5-dimethyl-8-(5-methylthiophen-2-yl)-6H-anthracen-1-yl]benzoate Openeye Name: ethyl 4-[5,5-dimethyl-8-(5-methyl-2-thienyl)-6H-anthracen-1-yl]benzoate CAS Name: 4-[5,5-dimethyl-8-(5-methyl-2-thiophenyl)-6H-anthracen-1-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5,5-dimethyl-8-(5-methylthiophen-2-yl)-6H-anthracen-1-yl]benzoate Traditional Name: 4-[5,5-dimethyl-8-(5-methyl-2-thienyl)-6H-anthracen-1-yl]benzoic acid ethyl ester Formula: C30H28O2S MolecularWeight: 452.60712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=CC3=CC4=C(C=C32)C(=CCC4(C)C)C5=CC=C(S5)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=CC3=CC4=C(C=C32)C(=CCC4(C)C)C5=CC=C(S5)C

InChI

InChI=1S/C30H28O2S/c1-5-32-29(31)21-12-10-20(11-13-21)23-8-6-7-22-17-27-26(18-25(22)23)24(15-16-30(27,3)4)28-14-9-19(2)33-28/h6-15,17-18H,5,16H2,1-4H3