4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxysulfonyl]phthalic acid

Systemtic Name: 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxysulfonyl]phthalic acid Openeye Name: 4-[(2,2-dimethyl-3H-benzofuran-7-yl)oxysulfonyl]phthalic acid CAS Name: 4-[(2,2-dimethyl-3H-benzofuran-7-yl)oxysulfonyl]phthalic acid IUPAC Name: 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxysulfonyl]phthalic acid Traditional Name: 4-(2,2-dimethylcoumaran-7-yl)oxysulfonylphthalic acid Formula: C18H16O8S MolecularWeight: 392.37984

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OS(=O)(=O)C3=CC(=C(C=C3)C(=O)O)C(=O)O)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OS(=O)(=O)C3=CC(=C(C=C3)C(=O)O)C(=O)O)C

InChI

InChI=1S/C18H16O8S/c1-18(2)9-10-4-3-5-14(15(10)25-18)26-27(23,24)11-6-7-12(16(19)20)13(8-11)17(21)22/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22)