ethyl 4-[2-(4-ethoxycarbonylphenoxy)-3-phenyl-phenoxy]benzoate hydrate

Systemtic Name: ethyl 4-[2-(4-ethoxycarbonylphenoxy)-3-phenyl-phenoxy]benzoate hydrate Openeye Name: ethyl 4-[2-(4-ethoxycarbonylphenoxy)-3-phenyl-phenoxy]benzoate hydrate CAS Name: 4-[2-(4-ethoxycarbonylphenoxy)-3-phenylphenoxy]benzoic acid ethyl ester hydrate IUPAC Name: ethyl 4-[2-(4-ethoxycarbonylphenoxy)-3-phenylphenoxy]benzoate hydrate Traditional Name: 4-[2-(4-carbethoxyphenoxy)-3-phenyl-phenoxy]benzoic acid ethyl ester hydrate Formula: C60H54O13 MolecularWeight: 983.06296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=CC=CC(=C2OC3=CC=C(C=C3)C(=O)OCC)C4=CC=CC=C4.CCOC(=O)C1=CC=C(C=C1)OC2=CC=CC(=C2OC3=CC=C(C=C3)C(=O)OCC)C4=CC=CC=C4.O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=CC=CC(=C2OC3=CC=C(C=C3)C(=O)OCC)C4=CC=CC=C4.CCOC(=O)C1=CC=C(C=C1)OC2=CC=CC(=C2OC3=CC=C(C=C3)C(=O)OCC)C4=CC=CC=C4.O

InChI

InChI=1S/2C30H26O6.H2O/c2*1-3-33-29(31)22-13-17-24(18-14-22)35-27-12-8-11-26(21-9-6-5-7-10-21)28(27)36-25-19-15-23(16-20-25)30(32)34-4-2;/h2*5-20H,3-4H2,1-2H3;1H2