2-[3-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]phenyl]-2H-chromene-7-carboxylate

Systemtic Name: 2-[3-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]phenyl]-2H-chromene-7-carboxylate Openeye Name: 2-[3-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]phenyl]-2H-chromene-7-carboxylate CAS Name: 2-[3-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]phenyl]-2H-1-benzopyran-7-carboxylate IUPAC Name: 2-[3-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]phenyl]-2H-chromene-7-carboxylate Traditional Name: 2-[3-(1-adamantyl)-4-[ethoxy(methoxy)methoxy]phenyl]-2H-chromene-7-carboxylate Formula: C30H33O6- MolecularWeight: 489.57942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(OC)OC1=C(C=C(C=C1)C2C=CC3=C(O2)C=C(C=C3)C(=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC(OC)OC1=C(C=C(C=C1)C2C=CC3=C(O2)C=C(C=C3)C(=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H34O6/c1-3-34-29(33-2)36-26-9-7-22(25-8-6-21-4-5-23(28(31)32)14-27(21)35-25)13-24(26)30-15-18-10-19(16-30)12-20(11-18)17-30/h4-9,13-14,18-20,25,29H,3,10-12,15-17H2,1-2H3,(H,31,32)/p-1