6-(ethylamino)-4-(2-sulfooxyethylsulfonyl)naphthalene-2-sulfonic acid

Systemtic Name: 6-(ethylamino)-4-(2-sulfooxyethylsulfonyl)naphthalene-2-sulfonic acid Openeye Name: 6-(ethylamino)-4-(2-sulfooxyethylsulfonyl)naphthalene-2-sulfonic acid CAS Name: 6-(ethylamino)-4-(2-sulfooxyethylsulfonyl)-2-naphthalenesulfonic acid IUPAC Name: 6-(ethylamino)-4-(2-sulfooxyethylsulfonyl)naphthalene-2-sulfonic acid Traditional Name: 6-(ethylamino)-4-(2-sulfoxyethylsulfonyl)naphthalene-2-sulfonic acid Formula: C14H17NO9S3 MolecularWeight: 439.48108

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC2=C(C=C(C=C2C=C1)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O

Isomeric SMILES

CCNC1=CC2=C(C=C(C=C2C=C1)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O

InChI

InChI=1S/C14H17NO9S3/c1-2-15-11-4-3-10-7-12(26(18,19)20)9-14(13(10)8-11)25(16,17)6-5-24-27(21,22)23/h3-4,7-9,15H,2,5-6H2,1H3,(H,18,19,20)(H,21,22,23)