3-chloranyl-4-[(1-ethanoyl-2,3-dihydroindol-5-yl)sulfonyloxy]-5-methoxy-benzoic acid

Systemtic Name: 3-chloranyl-4-[(1-ethanoyl-2,3-dihydroindol-5-yl)sulfonyloxy]-5-methoxy-benzoic acid Openeye Name: 4-(1-acetylindolin-5-yl)sulfonyloxy-3-chloro-5-methoxy-benzoic acid CAS Name: 4-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyloxy]-3-chloro-5-methoxybenzoic acid IUPAC Name: 4-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyloxy]-3-chloro-5-methoxybenzoic acid Traditional Name: 4-(1-acetylindolin-5-yl)sulfonyloxy-3-chloro-5-methoxy-benzoic acid Formula: C18H16ClNO7S MolecularWeight: 425.84014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)OC3=C(C=C(C=C3Cl)C(=O)O)OC

Isomeric SMILES

CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)OC3=C(C=C(C=C3Cl)C(=O)O)OC

InChI

InChI=1S/C18H16ClNO7S/c1-10(21)20-6-5-11-7-13(3-4-15(11)20)28(24,25)27-17-14(19)8-12(18(22)23)9-16(17)26-2/h3-4,7-9H,5-6H2,1-2H3,(H,22,23)