3-[(4-methylphenyl)methoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one hydrate

Systemtic Name: 3-[(4-methylphenyl)methoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one hydrate Openeye Name: 3-(p-tolylmethoxy)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one hydrate CAS Name: 3-[(4-methylphenyl)methoxy]-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-6-one hydrate IUPAC Name: 3-[(4-methylphenyl)methoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one hydrate Traditional Name: 3-(4-methylbenzyl)oxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one hydrate Formula: C21H22O4 MolecularWeight: 338.39698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=CC3=C(C=C2)C4=C(CCCC4)C(=O)O3.O

Isomeric SMILES

CC1=CC=C(C=C1)COC2=CC3=C(C=C2)C4=C(CCCC4)C(=O)O3.O

InChI

InChI=1S/C21H20O3.H2O/c1-14-6-8-15(9-7-14)13-23-16-10-11-18-17-4-2-3-5-19(17)21(22)24-20(18)12-16;/h6-12H,2-5,13H2,1H3;1H2