3-[2-(butylaminomethyl)-3,4-dihydro-2H-chromen-5-yl]naphthalene-1,2-disulfonic acid

Systemtic Name: 3-[2-(butylaminomethyl)-3,4-dihydro-2H-chromen-5-yl]naphthalene-1,2-disulfonic acid Openeye Name: 3-[2-(butylaminomethyl)chroman-5-yl]naphthalene-1,2-disulfonic acid CAS Name: 3-[2-(butylaminomethyl)-3,4-dihydro-2H-1-benzopyran-5-yl]naphthalene-1,2-disulfonic acid IUPAC Name: 3-[2-(butylaminomethyl)-3,4-dihydro-2H-chromen-5-yl]naphthalene-1,2-disulfonic acid Traditional Name: 3-[2-(butylaminomethyl)chroman-5-yl]naphthalene-1,2-disulfonic acid Formula: C24H27NO7S2 MolecularWeight: 505.60368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1CCC2=C(C=CC=C2O1)C3=CC4=CC=CC=C4C(=C3S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCNCC1CCC2=C(C=CC=C2O1)C3=CC4=CC=CC=C4C(=C3S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H27NO7S2/c1-2-3-13-25-15-17-11-12-20-19(9-6-10-22(20)32-17)21-14-16-7-4-5-8-18(16)23(33(26,27)28)24(21)34(29,30)31/h4-10,14,17,25H,2-3,11-13,15H2,1H3,(H,26,27,28)(H,29,30,31)