1,4-dibutoxybenzene; 1-[4-(1-sulfobutoxy)phenoxy]butane-1-sulfonic acid

Systemtic Name: 1,4-dibutoxybenzene; 1-[4-(1-sulfobutoxy)phenoxy]butane-1-sulfonic acid Openeye Name: 1,4-dibutoxybenzene; 1-[4-(1-sulfobutoxy)phenoxy]butane-1-sulfonic acid CAS Name: 1,4-dibutoxybenzene; 1-[4-(1-sulfobutoxy)phenoxy]-1-butanesulfonic acid IUPAC Name: 1,4-dibutoxybenzene; 1-[4-(1-sulfobutoxy)phenoxy]butane-1-sulfonic acid Traditional Name: 1,4-dibutoxybenzene; 1-[4-(1-sulfobutoxy)phenoxy]butane-1-sulfonic acid Formula: C28H44O10S2 MolecularWeight: 604.77296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OCCCC.CCCC(OC1=CC=C(C=C1)OC(CCC)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OCCCC.CCCC(OC1=CC=C(C=C1)OC(CCC)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H22O8S2.C14H22O2/c1-3-5-13(23(15,16)17)21-11-7-9-12(10-8-11)22-14(6-4-2)24(18,19)20;1-3-5-11-15-13-7-9-14(10-8-13)16-12-6-4-2/h7-10,13-14H,3-6H2,1-2H3,(H,15,16,17)(H,18,19,20);7-10H,3-6,11-12H2,1-2H3