4-(diphenylmethyl)benzene-1,3-disulfonic acid; N-(phenylmethyl)ethanamine

Systemtic Name: 4-(diphenylmethyl)benzene-1,3-disulfonic acid; N-(phenylmethyl)ethanamine Openeye Name: 4-benzhydrylbenzene-1,3-disulfonic acid; N-benzylethanamine CAS Name: 4-(diphenylmethyl)benzene-1,3-disulfonic acid; N-(phenylmethyl)ethanamine IUPAC Name: 4-benzhydrylbenzene-1,3-disulfonic acid; N-benzylethanamine Traditional Name: 4-benzhydrylbenzene-1,3-disulfonic acid; benzyl(ethyl)amine Formula: C28H29NO6S2 MolecularWeight: 539.66296

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=CC=CC=C1.C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCNCC1=CC=CC=C1.C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C19H16O6S2.C9H13N/c20-26(21,22)16-11-12-17(18(13-16)27(23,24)25)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15;1-2-10-8-9-6-4-3-5-7-9/h1-13,19H,(H,20,21,22)(H,23,24,25);3-7,10H,2,8H2,1H3