benzene; 4-[2-[(2,2-dimethyl-4-oxidanyl-1,3-dioxan-5-yl)methyl]phenyl]butanoic acid

Systemtic Name: benzene; 4-[2-[(2,2-dimethyl-4-oxidanyl-1,3-dioxan-5-yl)methyl]phenyl]butanoic acid Openeye Name: benzene; 4-[2-[(4-hydroxy-2,2-dimethyl-1,3-dioxan-5-yl)methyl]phenyl]butanoic acid CAS Name: benzene; 4-[2-[(4-hydroxy-2,2-dimethyl-1,3-dioxan-5-yl)methyl]phenyl]butanoic acid IUPAC Name: benzene; 4-[2-[(4-hydroxy-2,2-dimethyl-1,3-dioxan-5-yl)methyl]phenyl]butanoic acid Traditional Name: benzene; 4-[2-[(4-hydroxy-2,2-dimethyl-1,3-dioxan-5-yl)methyl]phenyl]butyric acid Formula: C23H30O5 MolecularWeight: 386.4813

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(C(O1)O)CC2=CC=CC=C2CCCC(=O)O)C.C1=CC=CC=C1

Isomeric SMILES

CC1(OCC(C(O1)O)CC2=CC=CC=C2CCCC(=O)O)C.C1=CC=CC=C1

InChI

InChI=1S/C17H24O5.C6H6/c1-17(2)21-11-14(16(20)22-17)10-13-7-4-3-6-12(13)8-5-9-15(18)19;1-2-4-6-5-3-1/h3-4,6-7,14,16,20H,5,8-11H2,1-2H3,(H,18,19);1-6H