3-(1-phenylethoxy)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one hydrate

Systemtic Name: 3-(1-phenylethoxy)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one hydrate Openeye Name: 3-(1-phenylethoxy)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one hydrate CAS Name: 3-(1-phenylethoxy)-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-6-one hydrate IUPAC Name: 3-(1-phenylethoxy)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one hydrate Traditional Name: 3-(1-phenylethoxy)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one hydrate Formula: C21H22O4 MolecularWeight: 338.39698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC2=CC3=C(C=C2)C4=C(CCCC4)C(=O)O3.O

Isomeric SMILES

CC(C1=CC=CC=C1)OC2=CC3=C(C=C2)C4=C(CCCC4)C(=O)O3.O

InChI

InChI=1S/C21H20O3.H2O/c1-14(15-7-3-2-4-8-15)23-16-11-12-18-17-9-5-6-10-19(17)21(22)24-20(18)13-16;/h2-4,7-8,11-14H,5-6,9-10H2,1H3;1H2