6-(2-ethylhexyl)-2,5-bis(oxidanylidene)-3,4-dihydro-1-benzoxepine-9-sulfonic acid

Systemtic Name: 6-(2-ethylhexyl)-2,5-bis(oxidanylidene)-3,4-dihydro-1-benzoxepine-9-sulfonic acid Openeye Name: 6-(2-ethylhexyl)-2,5-dioxo-3,4-dihydro-1-benzoxepine-9-sulfonic acid CAS Name: 6-(2-ethylhexyl)-2,5-dioxo-3,4-dihydro-1-benzoxepin-9-sulfonic acid IUPAC Name: 6-(2-ethylhexyl)-2,5-dioxo-3,4-dihydro-1-benzoxepine-9-sulfonic acid Traditional Name: 6-(2-ethylhexyl)-2,5-diketo-3,4-dihydro-1-benzoxepin-9-sulfonic acid Formula: C18H24O6S MolecularWeight: 368.44456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1=C2C(=O)CCC(=O)OC2=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCC(CC)CC1=C2C(=O)CCC(=O)OC2=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C18H24O6S/c1-3-5-6-12(4-2)11-13-7-9-15(25(21,22)23)18-17(13)14(19)8-10-16(20)24-18/h7,9,12H,3-6,8,10-11H2,1-2H3,(H,21,22,23)