4-[(E)-2-(8-ethoxycarbonyl-5,5-dimethyl-6H-naphthalen-2-yl)ethenyl]benzoate; methane

Systemtic Name: 4-[(E)-2-(8-ethoxycarbonyl-5,5-dimethyl-6H-naphthalen-2-yl)ethenyl]benzoate; methane Openeye Name: 4-[(E)-2-(8-ethoxycarbonyl-5,5-dimethyl-6H-naphthalen-2-yl)vinyl]benzoate; methane CAS Name: 4-[(E)-2-(8-ethoxycarbonyl-5,5-dimethyl-6H-naphthalen-2-yl)ethenyl]benzoate; methane IUPAC Name: 4-[(E)-2-(8-ethoxycarbonyl-5,5-dimethyl-6H-naphthalen-2-yl)ethenyl]benzoate; methane Traditional Name: 4-[(E)-2-(8-carbethoxy-5,5-dimethyl-6H-naphthalen-2-yl)vinyl]benzoate; methane Formula: C25H27O4- MolecularWeight: 391.47948

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Descriptors Computed from Structure

Canonical SMILES:

C.CCOC(=O)C1=CCC(C2=C1C=C(C=C2)C=CC3=CC=C(C=C3)C(=O)[O-])(C)C

Isomeric SMILES

C.CCOC(=O)C1=CCC(C2=C1C=C(C=C2)/C=C/C3=CC=C(C=C3)C(=O)[O-])(C)C

InChI

InChI=1S/C24H24O4.CH4/c1-4-28-23(27)19-13-14-24(2,3)21-12-9-17(15-20(19)21)6-5-16-7-10-18(11-8-16)22(25)26;/h5-13,15H,4,14H2,1-3H3,(H,25,26);1H4/p-1/b6-5+;