4-[(Z)-2-(3,3-dimethyl-2H-1,4-benzoxathiin-7-yl)prop-1-enyl]benzoic acid

Systemtic Name: 4-[(Z)-2-(3,3-dimethyl-2H-1,4-benzoxathiin-7-yl)prop-1-enyl]benzoic acid Openeye Name: 4-[(Z)-2-(3,3-dimethyl-2H-1,4-benzoxathiin-7-yl)prop-1-enyl]benzoic acid CAS Name: 4-[(Z)-2-(3,3-dimethyl-2H-1,4-benzoxathiin-7-yl)prop-1-enyl]benzoic acid IUPAC Name: 4-[(Z)-2-(3,3-dimethyl-2H-1,4-benzoxathiin-7-yl)prop-1-enyl]benzoic acid Traditional Name: 4-[(Z)-2-(3,3-dimethyl-2H-1,4-benzoxathiin-7-yl)prop-1-enyl]benzoic acid Formula: C20H20O3S MolecularWeight: 340.436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)SC(CO3)(C)C

Isomeric SMILES

C/C(=C/C1=CC=C(C=C1)C(=O)O)/C2=CC3=C(C=C2)SC(CO3)(C)C

InChI

InChI=1S/C20H20O3S/c1-13(10-14-4-6-15(7-5-14)19(21)22)16-8-9-18-17(11-16)23-12-20(2,3)24-18/h4-11H,12H2,1-3H3,(H,21,22)/b13-10-