1,2-dimethoxybenzene; (E)-4-[(3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)oxy]butylidenesulfamic acid

Systemtic Name: 1,2-dimethoxybenzene; (E)-4-[(3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)oxy]butylidenesulfamic acid Openeye Name: 1,2-dimethoxybenzene; (E)-4-(3,3-dimethyl-2-oxo-indolin-5-yl)oxybutylidenesulfamic acid CAS Name: 1,2-dimethoxybenzene; (E)-4-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)oxy]butylidenesulfamic acid IUPAC Name: 1,2-dimethoxybenzene; (E)-4-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)oxy]butylidenesulfamic acid Traditional Name: (E)-4-(2-keto-3,3-dimethyl-indolin-5-yl)oxybutylidenesulfamic acid; veratrole Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)OCCCC=NS(=O)(=O)O)NC1=O)C.COC1=CC=CC=C1OC

Isomeric SMILES

CC1(C2=C(C=CC(=C2)OCCC/C=N/S(=O)(=O)O)NC1=O)C.COC1=CC=CC=C1OC

InChI

InChI=1S/C14H18N2O5S.C8H10O2/c1-14(2)11-9-10(5-6-12(11)16-13(14)17)21-8-4-3-7-15-22(18,19)20;1-9-7-5-3-4-6-8(7)10-2/h5-7,9H,3-4,8H2,1-2H3,(H,16,17)(H,18,19,20);3-6H,1-2H3/b15-7+;