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

Systemtic Name: butoxybenzene; 1-[4-(1-sulfobutoxy)phenoxy]butane-1-sulfonic acid Openeye Name: butoxybenzene; 1-[4-(1-sulfobutoxy)phenoxy]butane-1-sulfonic acid CAS Name: butoxybenzene; 1-[4-(1-sulfobutoxy)phenoxy]-1-butanesulfonic acid IUPAC Name: butoxybenzene; 1-[4-(1-sulfobutoxy)phenoxy]butane-1-sulfonic acid Traditional Name: butoxybenzene; 1-[4-(1-sulfobutoxy)phenoxy]butane-1-sulfonic acid Formula: C24H36O9S2 MolecularWeight: 532.66724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O8S2.C10H14O/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;1-2-3-9-11-10-7-5-4-6-8-10/h7-10,13-14H,3-6H2,1-2H3,(H,15,16,17)(H,18,19,20);4-8H,2-3,9H2,1H3