ethyl 4-[3-(4-ethoxycarbonylphenyl)-1,4,6,11-tetrapropyl-tetracen-2-yl]benzoate

Systemtic Name: ethyl 4-[3-(4-ethoxycarbonylphenyl)-1,4,6,11-tetrapropyl-tetracen-2-yl]benzoate Openeye Name: ethyl 4-[3-(4-ethoxycarbonylphenyl)-1,4,6,11-tetrapropyl-tetracen-2-yl]benzoate CAS Name: 4-[3-(4-ethoxycarbonylphenyl)-1,4,6,11-tetrapropyl-2-tetracenyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-ethoxycarbonylphenyl)-1,4,6,11-tetrapropyltetracen-2-yl]benzoate Traditional Name: 4-[3-(4-carbethoxyphenyl)-1,4,6,11-tetrapropyl-tetracen-2-yl]benzoic acid ethyl ester Formula: C48H52O4 MolecularWeight: 692.92408

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C=C3C(=CC2=C(C4=CC=CC=C41)CCC)C(=C(C(=C3CCC)C5=CC=C(C=C5)C(=O)OCC)C6=CC=C(C=C6)C(=O)OCC)CCC

Isomeric SMILES

CCCC1=C2C=C3C(=CC2=C(C4=CC=CC=C41)CCC)C(=C(C(=C3CCC)C5=CC=C(C=C5)C(=O)OCC)C6=CC=C(C=C6)C(=O)OCC)CCC

InChI

InChI=1S/C48H52O4/c1-7-15-35-37-19-13-14-20-38(37)36(16-8-2)42-30-44-40(18-10-4)46(32-23-27-34(28-24-32)48(50)52-12-6)45(39(17-9-3)43(44)29-41(35)42)31-21-25-33(26-22-31)47(49)51-11-5/h13-14,19-30H,7-12,15-18H2,1-6H3